#METABOLOMICS WORKBENCH hanschen_20240712_034529 DATATRACK_ID:5003 STUDY_ID:ST003342 ANALYSIS_ID:AN005477 PROJECT_ID:PR002078 VERSION 1 CREATED_ON July 23, 2024, 2:55 pm #PROJECT PR:PROJECT_TITLE Glucosinolate profile and specifier protein activity determine the glucosinolate PR:PROJECT_TITLE hydrolysis product formation in kohlrabi (Brassica oleracea var. gongylodes) in PR:PROJECT_TITLE a tissue-specific way PR:PROJECT_SUMMARY Glucosinolates, commonly found in Brassica vegetables, are hydrolyzed by PR:PROJECT_SUMMARY myrosinase to form bioactive isothiocyanates unless specifier proteins redirect PR:PROJECT_SUMMARY the degradation to less bioactive nitriles and epithionitriles. Here, the PR:PROJECT_SUMMARY tissue-specific impact of specifier proteins on the outcome of glucosinolate PR:PROJECT_SUMMARY hydrolysis in nine kohlrabi tissues was investigated. Glucosinolates and their PR:PROJECT_SUMMARY hydrolysis product profiles, epithiospecifier protein and myrosinase activity PR:PROJECT_SUMMARY and protein abundance patterns of key glucosinolate biosynthesis, transport and PR:PROJECT_SUMMARY hydrolysis proteins were determined and correlated to the metabolites in the PR:PROJECT_SUMMARY kohlrabi tissues. Leaf tissues were rich in glucoraphanin, while bulb tissues PR:PROJECT_SUMMARY contained more glucoerucin. Moreover, a higher proportion of isothiocyanates was PR:PROJECT_SUMMARY formed in leaf stalk, bulb peel, stem and root, tissues with relatively higher PR:PROJECT_SUMMARY ESM1 abundance and a higher ratio of myrosinase activity to ESP activity. This PR:PROJECT_SUMMARY study shows that tissue-specific glucosinolate hydrolysis is mediated by PR:PROJECT_SUMMARY glucosinolate biosynthesis and profiles, myrosinase activity and specifier PR:PROJECT_SUMMARY protein as well as modifier protein abundance. PR:INSTITUTE Leibniz Institute of Vegetable and Ornamental Crops (IGZ) e.V. PR:DEPARTMENT Plant Quality and Food Security PR:LAST_NAME Hanschen PR:FIRST_NAME Franziska PR:ADDRESS Theodor-Echtermeyer-Weg 1 PR:EMAIL hanschen@igzev.de PR:PHONE 00493370178250 PR:FUNDING_SOURCE Leibniz Association PR:PROJECT_COMMENTS J16/2017 #STUDY ST:STUDY_TITLE Glucosinolate profile and specifier protein activity determine the glucosinolate ST:STUDY_TITLE hydrolysis product formation in kohlrabi (Brassica oleracea var. gongylodes) in ST:STUDY_TITLE a tissue-specific way ST:STUDY_SUMMARY Glucosinolates, commonly found in Brassica vegetables, are hydrolyzed by ST:STUDY_SUMMARY myrosinase to form bioactive isothiocyanates unless specifier proteins redirect ST:STUDY_SUMMARY the degradation to less bioactive nitriles and epithionitriles. Here, the ST:STUDY_SUMMARY tissue-specific impact of specifier proteins on the outcome of glucosinolate ST:STUDY_SUMMARY hydrolysis in nine kohlrabi tissues was investigated. Glucosinolate and their ST:STUDY_SUMMARY hydrolysis product profiles, epithiospecifier protein and myrosinase activity ST:STUDY_SUMMARY and protein abundance patterns of key glucosinolate biosynthesis, transport and ST:STUDY_SUMMARY hydrolysis proteins were determined and correlated to the metabolites in the ST:STUDY_SUMMARY kohlrabi tissues. Leaf tissues were rich in glucoraphanin, while bulb tissues ST:STUDY_SUMMARY contained more glucoerucin. Moreover, a higher proportion of isothiocyanates was ST:STUDY_SUMMARY formed in leaf stalk, bulb peel, stem and root, tissues with relatively higher ST:STUDY_SUMMARY ESM1 abundance and a higher ratio of myrosinase activity to ESP activity. This ST:STUDY_SUMMARY study shows that tissue-specific glucosinolate hydrolysis is mediated by ST:STUDY_SUMMARY glucosinolate biosynthesis and profiles, myrosinase activity and specifier ST:STUDY_SUMMARY protein as well as modifier protein abundance. ST:INSTITUTE Leibniz Institute of Vegetable and Ornamental Crops (IGZ) e.V. ST:LAST_NAME Hanschen ST:FIRST_NAME Franziska ST:ADDRESS Theodor-Echtermeyer-Weg 1, 14979 Großbeeren, Brandenburg, Germany ST:EMAIL hanschen@igzev.de ST:PHONE 00493370178250 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Brassica oleracea SU:GENOTYPE_STRAIN Brassica oleracea var. gongylodes cv. 'Kolibri' SU:AGE_OR_AGE_RANGE adult #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - K1 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20210830_K1.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K2 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20210830_K2.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K3 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20210830_K3.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K4 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20210830_K4.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K5 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20210830_K5.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K6 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20210830_K6.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K7 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20210830_K7.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K8 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20210830_K8.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K9 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20210830_K9.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K10 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20210830_K10.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K11 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20210830_K11.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K12 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20210830_K12.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K13 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20210830_K13.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K14 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20210830_K14.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K15 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20210830_K15.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K16 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20210830_K16.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K17 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20210830_K17.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K18 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20210830_K18.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K19 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20210830_K19.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K20 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20210830_K20.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K21 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20210830_K21.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K22 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20210901_K22.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K23 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20210901_K23.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K24 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20210901_K24.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K25 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20210901_K25.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K26 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20210901_K26.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K27 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20210901_K27.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K28 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20210901_K28.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K29 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20210901_K29.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K30 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20210901_K30.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K31 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20210901_K31.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K32 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20210901_K32.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K33 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20210901_K33.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K34 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20210901_K34.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K35 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20210901_K35.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K36 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20210901_K36.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K37 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20210901_K37.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K38 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20210901_K38.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K39 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20210901_K39.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K40 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20210901_K40.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K41 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20210901_K41.mzML; Experimental replicate=1; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K42 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20210901_K42.mzML; Experimental replicate=1; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K43 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20210902_K43.mzML; Experimental replicate=1; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K44 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20210902_K44.mzML; Experimental replicate=1; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K45 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20210902_K45.mzML; Experimental replicate=1; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K280 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20211215_K280.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K281 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20211215_K281.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K282 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20211215_K282.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K283 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20211215_K283.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K284 Sample source:Brassica plant tissues | Tissue:Leaf midvein RAW_FILE_NAME(Raw file name)=20211215_K284.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K285 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20211215_K285.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K286 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20211215_K286.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K287 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20211215_K287.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K288 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20211215_K288.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K289 Sample source:Brassica plant tissues | Tissue:Leaf lamina RAW_FILE_NAME(Raw file name)=20211215_K289.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K290 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20211215_K290.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K291 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20211215_K291.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K292 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20211215_K292.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K293 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20211215_K293.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K294 Sample source:Brassica plant tissues | Tissue:Leaf margin RAW_FILE_NAME(Raw file name)=20211215_K294.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K295 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20211215_K295.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K296 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20211215_K296.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K297 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20211215_K297.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K298b Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20211215_K298B.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K299 Sample source:Brassica plant tissues | Tissue:Leaf stalk RAW_FILE_NAME(Raw file name)=20211215_K299.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K300 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20211215_K300.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K301 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20211215_K301.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K302 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20211215_K302.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K303b Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20211215_K303B.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K304 Sample source:Brassica plant tissues | Tissue:Bulb core RAW_FILE_NAME(Raw file name)=20211215_K304.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K305 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20211215_K305.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K306 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20211215_K306.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K307 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20211215_K307.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K308 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20211213_K308.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K309 Sample source:Brassica plant tissues | Tissue:Bulb middle part RAW_FILE_NAME(Raw file name)=20211215_K309.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K310 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20211215_K310.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K311 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20211215_K311.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K312 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20211215_K312.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K313 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20211215_K313.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K314 Sample source:Brassica plant tissues | Tissue:Bulb peel RAW_FILE_NAME(Raw file name)=20211215_K314.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K315 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20211215_K315.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K316 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20211215_K316.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K317 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20211215_K317.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K318 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20211215_K318.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K319 Sample source:Brassica plant tissues | Tissue:Stem RAW_FILE_NAME(Raw file name)=20211215_K319.mzML; Experimental replicate=2; Biological replicate=5 SUBJECT_SAMPLE_FACTORS - K320 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20211215_K320.mzML; Experimental replicate=2; Biological replicate=1 SUBJECT_SAMPLE_FACTORS - K321 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20211215_K321.mzML; Experimental replicate=2; Biological replicate=2 SUBJECT_SAMPLE_FACTORS - K322 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20211215_K322.mzML; Experimental replicate=2; Biological replicate=3 SUBJECT_SAMPLE_FACTORS - K323 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20211215_K323.mzML; Experimental replicate=2; Biological replicate=4 SUBJECT_SAMPLE_FACTORS - K324 Sample source:Brassica plant tissues | Tissue:Root RAW_FILE_NAME(Raw file name)=20211215_K324.mzML; Experimental replicate=2; Biological replicate=5 #COLLECTION CO:COLLECTION_SUMMARY The kohlrabi plants were harvested at maturity (68 days after sowing). Nine CO:COLLECTION_SUMMARY organs were harvested from each kohlrabi plant (Figure 1B). Regarding the leaf CO:COLLECTION_SUMMARY tissues, the third youngest leaf was harvested and separated into four parts CO:COLLECTION_SUMMARY (leaf midvein, leaf lamina, leaf margin and leaf stalk). Further, three parts of CO:COLLECTION_SUMMARY the bulb (bulb core, bulb middle part and bulb peel) the stem and the root were CO:COLLECTION_SUMMARY harvested as well (Figure 1B). Five biological replicates for each plant organ CO:COLLECTION_SUMMARY were prepared comprising of three pooled plants. The harvested plant organ CO:COLLECTION_SUMMARY materials were weighed, put into 20 mL vials (polyvial V; Zinsser Analytics CO:COLLECTION_SUMMARY GmbH, Eschborn, Germany), immediately flash frozen in liquid nitrogen, stored at CO:COLLECTION_SUMMARY −20 °C and then subsequently freeze-dried. For the homogenization metal balls CO:COLLECTION_SUMMARY (8 mm ⌀) were added to each vial and the samples were ground to a fine powder CO:COLLECTION_SUMMARY within 2 min using a mixer mill at 30 Hz (MM400, Retsch GmbH, Haan, Germany). CO:COLLECTION_SUMMARY The kohlrabi stem sample which was tough, was allowed to cool (at room CO:COLLECTION_SUMMARY temperature) and the grinding was repeated to get the fine powder. The samples CO:COLLECTION_SUMMARY were then stored at −20 °C until the subsequent experiments. The whole CO:COLLECTION_SUMMARY experiment was performed two times independently. CO:COLLECTION_PROTOCOL_FILENAME ProtocolKohlrabi.pdf CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY The seeds of kohlrabi (B. oleracea var. gongylodes cv. Kolibri) obtained from TR:TREATMENT_SUMMARY Bejo Samen GmbH, (Sonsbeck, Germany) were grown in seed trays and then TR:TREATMENT_SUMMARY transferred to single 15 cm diameter polypropylene pots containing soil TR:TREATMENT_SUMMARY (Einheitserde T, Einheitserde Werkverband e.V., Germany) after germination. The TR:TREATMENT_SUMMARY plants were grown under controlled growth conditions in a phytochamber (ENGIE TR:TREATMENT_SUMMARY Deutschland GmbH, Köln, Germany) with mercury to metal halide conversion lamp TR:TREATMENT_SUMMARY (Clean Ace (Daylight) Mogul Base, 6500K CCT/90CRI; EYE Lighting International, TR:TREATMENT_SUMMARY Mentor, OH) at the Leibniz Institute of Vegetable and Ornamental Crops in TR:TREATMENT_SUMMARY Großbeeren, Germany. The following growth conditions were used: temperature 22 TR:TREATMENT_SUMMARY °C to 18 °C (day to night), 12 h photoperiod, light intensity 500 μmol m−2 TR:TREATMENT_SUMMARY s−1 and 70 % air humidity. The plants were watered as needed and no fertilizer TR:TREATMENT_SUMMARY was added during the growth period. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The volatile glucosinolate (GLS) hydrolysis products were extracted from the SP:SAMPLEPREP_SUMMARY homogenized plant material and quantified according to Friedrich, Wermter, SP:SAMPLEPREP_SUMMARY Andernach, Witzel, and Hanschen (2022) with small modifications. Briefly, 250 SP:SAMPLEPREP_SUMMARY µL of water was added to 25 mg of freeze-dried material and incubated for one SP:SAMPLEPREP_SUMMARY hour at room temperature. After incubation, the GLS hydrolysis products were SP:SAMPLEPREP_SUMMARY then extracted with methylene chloride three times (with 2 mL in the first and SP:SAMPLEPREP_SUMMARY 1.5 mL in the second and third extraction step) in the presence of 0.2 µmol SP:SAMPLEPREP_SUMMARY benzonitrile internal standard. After each extraction steps, samples were SP:SAMPLEPREP_SUMMARY centrifuged and the methylene chloride phase was then filtered over anhydrous SP:SAMPLEPREP_SUMMARY sodium sulfate, collected and finally concentrated under a nitrogen stream to SP:SAMPLEPREP_SUMMARY 300 µL. Reference: Friedrich, K., Wermter, N. S., Andernach, L., Witzel, K., & SP:SAMPLEPREP_SUMMARY Hanschen, F. S. (2022). Formation of volatile sulfur compounds and SP:SAMPLEPREP_SUMMARY S-methyl-L-cysteine sulfoxide in Brassica oleracea vegetables. Food Chemistry, SP:SAMPLEPREP_SUMMARY 383, 132544. SP:SAMPLEPREP_PROTOCOL_FILENAME ProtocolKohlrabi.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The volatile compounds were analyzed by gas chromatography mass spectrometry CH:CHROMATOGRAPHY_SUMMARY (GC-MS) system (7890 A GC with 5975C Inert XL MSD, Agilent Technologies CH:CHROMATOGRAPHY_SUMMARY Deutschland GmbH, Waldbronn, Germany) by using a SGE BPX5 column (30 m × 0.25 CH:CHROMATOGRAPHY_SUMMARY mm × 0.25 μm) (Trajan Scientific Europe Ltd., Victoria, Australia). After CH:CHROMATOGRAPHY_SUMMARY splitless injection of 1 µL of sample solution at 190°C, analytes were CH:CHROMATOGRAPHY_SUMMARY separated with He as carrier gas (1.8 mL/min) and a temperature gradient CH:CHROMATOGRAPHY_SUMMARY starting at 37°C (for 3 min) rising with 9°C/min to 90°C (2 min hold) then to CH:CHROMATOGRAPHY_SUMMARY 110°C with 3°C/min, further increased to 210°C with 9°C/min, then to 223°C CH:CHROMATOGRAPHY_SUMMARY with 3°C/min, then to 230°C with 9°C/min and finally the GC was heated to CH:CHROMATOGRAPHY_SUMMARY 310°C with 35°C/min (6 min hold). CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME SGE BPX5 (30m × 0.25mm; 0.25um) CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE - CH:COLUMN_TEMPERATURE starting at 37°C (for 3 min) rising with 9°C/min to 90°C (2 min hold) then to CH:COLUMN_TEMPERATURE 110°C with 3°C/min, further increased to 210°C with 9°C/min, then to 223°C CH:COLUMN_TEMPERATURE with 3°C/min, then to 230°C with 9°C/min and finally the GC was heated to CH:COLUMN_TEMPERATURE 310°C with 35°C/min (6 min hold) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE ProtocolKohlrabi.pdf #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS The identification of glucosinolate hydrolysis products was based on comparison MS:MS_COMMENTS of their mass spectra to those of authentic standards and retention time as well MS:MS_COMMENTS as by comparison of mass spectra with literature data (Spencer & Daxenbichler, MS:MS_COMMENTS 1980). The response factors of the compounds relative to the internal standard MS:MS_COMMENTS benzonitrile obtained from calibration curves of authentic standards was used to MS:MS_COMMENTS quantify the hydrolysis products. For any given compound without a standard, the MS:MS_COMMENTS response factor of the chemically most similar compound was used. MassHunter MS:MS_COMMENTS version 10.2 (AgilentTechnologies Deutschland GmbH, Waldbronn, Germany) was used MS:MS_COMMENTS for data analysis and quantification of compounds. Agilent MSD ChemStation data MS:MS_COMMENTS were transformed to MassHunter format using the MassHunter GC/MS Translator MS:MS_COMMENTS B.0705 2479. Reference: Spencer, G. F., & Daxenbichler, M. E. (1980). Gas MS:MS_COMMENTS chromatography‐mass spectrometry of nitriles, isothiocyanates and MS:MS_COMMENTS oxazolidinethiones derived from cruciferous glucosinolates. Journal of the MS:MS_COMMENTS Science of Food and Agriculture, 31, 359-367. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µmol/g dry weight of tissue MS_METABOLITE_DATA_START Samples K1 K2 K3 K4 K5 K6 K7 K8 K9 K10 K11 K12 K13 K14 K15 K16 K17 K18 K19 K20 K21 K22 K23 K24 K25 K26 K27 K28 K29 K30 K31 K32 K33 K34 K35 K36 K37 K38 K39 K40 K41 K42 K43 K44 K45 K280 K281 K282 K283 K284 K285 K286 K287 K288 K289 K290 K291 K292 K293 K294 K295 K296 K297 K298b K299 K300 K301 K302 K303b K304 K305 K306 K307 K308 K309 K310 K311 K312 K313 K314 K315 K316 K317 K318 K319 K320 K321 K322 K323 K324 Factors Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf midvein Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf lamina Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf margin Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Leaf stalk Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb core Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb middle part Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Bulb peel Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Stem Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root Sample source:Brassica plant tissues | Tissue:Root 4-(methylthio)butanenitrile 0.032 0.022 0.208 0.409 0.033 0.032 0.014 0.048 0.048 0.032 0.022 0.030 0.026 0.016 0.016 0.065 0.036 0.266 0.962 0.047 4.123 4.165 4.500 5.921 4.034 5.199 3.788 7.970 9.411 3.630 1.492 0.491 1.329 1.601 0.259 0.499 0.120 0.481 0.470 0.737 0.515 0.755 0.502 0.486 0.229 0.012 0.007 0.010 0.015 0.012 0.000 0.000 0.000 0.000 0.005 0.000 0.059 0.000 0.004 0.004 0.041 0.033 0.048 0.045 0.048 3.917 3.850 3.728 3.367 3.951 5.293 6.388 4.222 6.295 5.033 0.174 0.124 0.150 0.243 0.238 0.230 0.000 0.214 0.347 0.298 0.942 0.931 0.542 0.922 0.735 3-(methylthio)propyl isothiocyanate 0.015 0.011 0.273 0.742 0.023 0.000 0.000 0.008 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.205 0.049 1.020 2.138 0.117 0.134 0.346 0.126 0.168 0.197 0.233 1.294 0.856 0.771 0.445 1.436 1.043 2.816 2.434 1.196 6.581 3.748 6.969 7.227 6.341 2.949 3.288 1.493 1.106 0.618 0.004 0.002 0.006 0.006 0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.071 0.032 0.062 0.093 0.044 0.100 0.242 0.167 0.085 0.174 1.398 1.815 1.890 1.292 1.748 1.931 1.894 2.134 2.374 1.952 3.086 3.231 3.178 5.428 3.938 4.481 2.441 2.527 2.232 2.143 5-(methylthio)pentanenitrile 0.082 0.066 0.251 0.317 0.058 0.071 0.026 0.098 0.124 0.046 0.038 0.058 0.081 0.053 0.026 0.060 0.066 0.184 0.660 0.045 6.397 6.442 7.408 9.402 6.255 8.983 3.883 11.179 12.606 4.455 1.471 0.395 1.305 1.443 0.167 0.251 0.076 0.257 0.307 0.245 0.250 0.415 0.257 0.279 0.114 0.050 0.022 0.036 0.037 0.033 0.006 0.000 0.006 0.000 0.000 0.000 0.072 0.000 0.000 0.000 0.099 0.071 0.123 0.095 0.077 9.077 7.405 7.425 7.713 7.169 6.132 7.842 4.781 8.372 5.059 0.148 0.116 0.131 0.168 0.179 0.145 0.178 0.125 0.199 0.138 0.513 0.694 0.515 0.794 0.600 4-(methylthio)butyl isothiocyanate 0.140 0.099 0.663 1.779 0.125 0.060 0.048 0.094 0.031 0.042 0.019 0.036 0.028 0.007 0.014 0.572 0.177 1.656 4.513 0.359 1.172 3.638 1.191 1.226 1.484 2.106 5.938 6.478 5.123 2.926 4.345 2.849 8.439 7.243 2.415 11.758 6.407 13.298 14.693 11.680 8.844 10.493 5.687 4.166 2.258 0.074 0.019 0.059 0.064 0.030 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.573 0.206 0.439 0.463 0.229 1.250 2.968 1.797 0.977 2.209 7.236 9.139 7.700 7.013 7.090 4.594 4.460 5.207 4.856 3.960 6.333 8.478 7.636 10.833 8.110 16.126 11.873 12.959 9.847 9.684 4-(methylsulfinyl)butanenitrile 7.594 6.495 8.150 7.965 9.674 6.610 4.983 6.462 7.638 7.837 7.696 6.966 8.758 8.889 9.866 8.570 9.085 8.255 8.401 7.647 0.435 0.153 0.000 0.317 0.052 4.131 3.900 4.958 5.041 5.208 6.576 4.573 5.539 7.524 4.834 0.130 0.034 0.033 0.086 0.086 0.000 0.000 0.000 0.017 0.000 4.593 4.606 4.479 4.601 5.888 2.558 3.330 3.121 4.009 3.747 2.624 4.896 4.488 5.580 5.089 4.667 6.069 5.079 4.867 5.750 0.065 0.036 0.033 0.036 0.077 2.875 3.904 2.021 2.935 1.996 1.662 0.000 1.530 2.041 2.482 0.074 0.049 0.000 0.038 0.036 0.030 0.036 0.033 0.040 0.032 3-(methylsulfinyl)propyl isothiocyanate 1.398 1.528 3.721 2.718 5.756 0.344 0.587 0.344 0.104 0.413 0.230 0.243 0.178 0.182 0.634 8.243 5.759 7.928 5.939 9.370 0.011 0.005 0.004 0.004 0.000 0.098 2.976 0.916 0.628 1.251 1.127 4.413 4.220 1.873 6.371 2.295 1.746 1.836 2.956 1.693 0.316 0.299 0.042 0.157 0.042 0.933 1.043 1.198 1.804 0.851 0.043 0.072 0.054 0.065 0.051 0.010 0.046 0.109 0.062 0.035 3.951 4.082 4.267 6.882 3.459 0.005 0.000 0.000 0.000 0.006 1.134 2.264 1.461 1.000 1.228 5.775 6.385 5.888 6.595 6.737 0.643 0.534 0.334 0.652 0.425 0.221 0.161 0.215 0.145 0.171 5-(methylsulfinyl)pentanenitrile 17.652 14.306 17.077 14.970 16.775 18.788 13.559 17.699 21.610 19.121 19.530 17.878 22.196 22.223 20.040 9.370 11.292 11.313 10.476 7.472 0.413 0.288 0.369 0.677 0.271 7.286 5.435 7.973 9.920 7.310 12.826 6.982 8.503 14.456 7.770 0.208 0.000 0.151 0.187 0.000 0.000 0.000 0.000 0.062 0.010 12.106 11.459 10.284 10.179 14.686 8.567 13.206 10.284 15.565 11.170 10.664 19.063 16.213 23.005 17.590 8.219 10.433 8.690 9.231 9.328 0.183 0.114 0.113 0.127 0.197 3.805 4.497 2.188 3.593 2.334 2.814 2.949 2.713 3.399 4.133 0.111 0.081 0.044 0.081 0.071 0.094 0.117 0.108 0.115 0.102 4-(methylsulfinyl)butyl isothiocyanate 5.716 5.979 12.023 10.025 15.516 1.656 3.227 1.628 0.491 1.852 0.979 0.957 0.748 0.601 1.951 14.220 10.228 15.420 12.494 14.713 0.024 0.041 0.027 0.062 0.028 0.554 8.041 3.609 3.233 3.887 4.950 11.789 12.012 8.040 17.154 5.156 4.089 4.326 6.582 3.807 1.377 1.374 0.218 0.826 0.238 6.375 6.404 6.262 9.616 5.170 0.250 0.620 0.431 0.722 0.476 0.477 0.385 0.756 0.484 0.247 13.814 14.187 13.710 25.038 11.891 0.015 0.021 0.000 0.000 0.033 3.449 5.601 3.241 2.822 3.083 18.401 21.261 19.936 21.784 21.898 1.886 1.811 1.218 2.052 1.451 1.154 1.155 1.637 0.911 1.154 3-phenylpropionitrile 0.003 0.003 0.005 0.004 0.004 0.000 0.000 0.000 0.002 0.003 0.000 0.002 0.003 0.002 0.003 0.002 0.003 0.003 0.004 0.000 0.022 0.027 0.029 0.018 0.025 0.115 0.084 0.054 0.035 0.078 0.011 0.010 0.000 0.000 0.000 0.034 0.015 0.015 0.014 0.026 0.109 0.149 0.029 0.032 0.032 0.003 0.002 0.004 0.002 0.004 0.000 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.003 0.000 0.003 0.003 0.005 0.033 0.021 0.024 0.019 0.031 0.116 0.074 0.075 0.059 0.083 0.000 0.000 0.000 0.000 0.000 0.019 0.021 0.014 0.012 0.018 0.082 0.070 0.050 0.071 0.078 2-phenylethyl isothiocyanate 0.012 0.013 0.021 0.026 0.016 0.005 0.007 0.005 0.002 0.009 0.004 0.004 0.002 0.000 0.006 0.029 0.025 0.039 0.046 0.038 0.028 0.095 0.032 0.021 0.028 0.079 0.341 0.092 0.049 0.159 0.056 0.115 0.031 0.028 0.032 1.661 1.124 0.814 0.856 1.880 7.036 8.371 1.737 1.428 1.935 0.007 0.004 0.007 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.021 0.012 0.011 0.015 0.018 0.009 0.015 0.012 0.006 0.022 0.225 0.137 0.154 0.084 0.193 0.065 0.027 0.032 0.043 0.037 0.927 1.199 1.073 1.030 1.074 5.934 2.889 2.918 2.214 3.396 indol-3-acetonitrile 0.0501 0.0631 0.0689 0.0272 0.0599 0.0183 0.0093 0.0102 0.0130 0.0070 0.0089 0.0083 0.0102 0.0084 0.0089 0.0344 0.0904 0.0417 0.0196 0.0241 0.0129 0.0104 0.0095 0.0143 0.0179 0.0527 0.0173 0.0223 0.0245 0.0221 0.0264 0.0176 0.0163 0.0198 0.0125 0.0104 0.0058 0.0080 0.0100 0.0047 0.0771 0.1238 0.0305 0.0552 0.0348 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1-methoxyindol-3-acetonitrile 0.1332 0.1175 0.1392 0.0589 0.0897 0.2637 0.1683 0.1449 0.2111 0.1729 0.2513 0.2978 0.2354 0.2373 0.4041 0.0261 0.0570 0.0390 0.0185 0.0216 0.0272 0.0000 0.0050 0.0065 0.0100 0.0165 0.0024 0.0038 0.0000 0.0045 0.0096 0.0000 0.0000 0.0000 0.0000 0.0077 0.0057 0.0037 0.0066 0.0000 0.0074 0.0047 0.0015 0.0000 0.0008 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention time (min) Experiment 1 Retention time (min) Experiment 2 Quantified m/z CAS number 4-(methylthio)butanenitrile 11.70 10.84 61 59121-24-3 3-(methylthio)propyl isothiocyanate 19.60 18.55 101 505-79-3 5-(methylthio)pentanenitrile 15.80 14.60 129 59121-25-4 4-(methylthio)butyl isothiocyanate 22.30 21.57 115 4430-36-8 4-(methylsulfinyl)butanenitrile 21.30 20.21 64 61121-65-1 3-(methylsulfinyl)propyl isothiocyanate 25.40 24.65 72 505-44-2 5-(methylsulfinyl)pentanenitrile 23.90 23.06 55 61121-66-2 4-(methylsulfinyl)butyl isothiocyanate 27.30 26.58 160 4478-93-7 3-phenylpropionitrile 17.00 15.97 131 645-59-0 2-phenylethyl isothiocyanate 22.90 22.18 163 2257-09-2 1-methoxyindol-3-acetonitrile 26.90 26.26 155 30536-48-2 indol-3-acetonitrile 27.90 27.90 155 771-51-7 METABOLITES_END #END