Massbank MS database records for Theophylline
Massbank ID | Instrument | Inst. type | Collision energy | Ion type | Ion mode | MS level |
---|---|---|---|---|---|---|
MSBNK-Antwerp_Univ-METOX_P101301_EF88 | Agilent 6530 QTOF | LC-ESI-QTOF | 20 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO000310 | API3000, Applied Biosystems | LC-ESI-QQ | 10 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO001904 | API3000, Applied Biosystems | LC-ESI-QQ | 10 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO000311 | API3000, Applied Biosystems | LC-ESI-QQ | 20 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO001905 | API3000, Applied Biosystems | LC-ESI-QQ | 20 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO000312 | API3000, Applied Biosystems | LC-ESI-QQ | 30 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO001906 | API3000, Applied Biosystems | LC-ESI-QQ | 30 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO000313 | API3000, Applied Biosystems | LC-ESI-QQ | 40 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO001907 | API3000, Applied Biosystems | LC-ESI-QQ | 40 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO000314 | API3000, Applied Biosystems | LC-ESI-QQ | 50 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO001908 | API3000, Applied Biosystems | LC-ESI-QQ | 50 V | [M-H]- | NEGATIVE | MS2 |
MSBNK-Keio_Univ-KO002408 | API3000, Applied Biosystems | LC-ESI-QQ | 10 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO004132 | API3000, Applied Biosystems | LC-ESI-QQ | 10 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO002409 | API3000, Applied Biosystems | LC-ESI-QQ | 20 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO004133 | API3000, Applied Biosystems | LC-ESI-QQ | 20 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO002410 | API3000, Applied Biosystems | LC-ESI-QQ | 30 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO004134 | API3000, Applied Biosystems | LC-ESI-QQ | 30 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO002411 | API3000, Applied Biosystems | LC-ESI-QQ | 40 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO004135 | API3000, Applied Biosystems | LC-ESI-QQ | 40 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO002412 | API3000, Applied Biosystems | LC-ESI-QQ | 50 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Keio_Univ-KO004136 | API3000, Applied Biosystems | LC-ESI-QQ | 50 V | [M+H]+ | POSITIVE | MS2 |
MSBNK-Athens_Univ-AU111401 | Bruker maXis Impact | LC-ESI-QTOF | 10 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Athens_Univ-AU111402 | Bruker maXis Impact | LC-ESI-QTOF | 20 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Athens_Univ-AU111403 | Bruker maXis Impact | LC-ESI-QTOF | 30 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Athens_Univ-AU111404 | Bruker maXis Impact | LC-ESI-QTOF | 40 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150557 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 120 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150558 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 150 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150551 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 15 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150559 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 180 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150552 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 30 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150553 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 45 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150554 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 60 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150555 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 75 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150556 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 90 % (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ01150507 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 120 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150508 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 150 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150501 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 15 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150509 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 180 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150502 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 30 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150503 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 45 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150504 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 60 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150505 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 75 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ01150506 | Exploris 240 Orbitrap Thermo S... | LC-ESI-QFT | 90 % (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Fac_Eng_Univ_Tokyo-JP011292 | HITACHI M-2500 | EI-B | - | - | POSITIVE | MS |
MSBNK-Metabolon-MT000080 | LTQ XL, Thermo Finnigan | LC-ESI-IT | 40 | [M-H]- | NEGATIVE | MS2 |
MSBNK-Univ_Connecticut-CO000046 | Micromass Q-TOF II | LC-ESI-QTOF | 10 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Univ_Connecticut-CO000047 | Micromass Q-TOF II | LC-ESI-QTOF | 20 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Univ_Connecticut-CO000048 | Micromass Q-TOF II | LC-ESI-QTOF | 30 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Univ_Connecticut-CO000049 | Micromass Q-TOF II | LC-ESI-QTOF | 40 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-Univ_Connecticut-CO000050 | Micromass Q-TOF II | LC-ESI-QTOF | 50 eV | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111801 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 15 | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111802 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 30 | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111803 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 45 | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111804 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 60 | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111805 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 75 | [M+H]+ | POSITIVE | MS2 |
MSBNK-LCSB-LU111806 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | 90 | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363257 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 120 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363258 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 150 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363251 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 15 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363259 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 180 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363252 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 30 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-CASMI_2016-SM815654 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 35 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363253 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 45 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363254 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 60 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363255 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 75 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363256 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 90 (nominal) | [M-H]- | NEGATIVE | MS2 |
MSBNK-Eawag-EQ363207 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 120 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363208 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 150 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363201 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 15 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363209 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 180 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363202 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 30 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-CASMI_2016-SM815601 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 35 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363203 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 45 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363204 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 60 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363205 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 75 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-Eawag-EQ363206 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | 90 (nominal) | [M+H]+ | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099201 | TQD, Waters | LC-ESI-QQ | 10 | - | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099202 | TQD, Waters | LC-ESI-QQ | 20 | - | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099203 | TQD, Waters | LC-ESI-QQ | 30 | - | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099204 | TQD, Waters | LC-ESI-QQ | 40 | - | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099205 | TQD, Waters | LC-ESI-QQ | 50 | - | POSITIVE | MS2 |
MSBNK-RIKEN_ReSpect-PS099206 | TQD, Waters | LC-ESI-QQ | 60 | - | POSITIVE | MS2 |
MSBNK-BAFG-CSL23111011377 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 10 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011378 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 100 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011376 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 110 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011384 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 120 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011380 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 130 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011382 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 140 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011386 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 150 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011374 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 20 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011375 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 30 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011383 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 40 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011387 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 40 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011381 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 50 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011388 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 60 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011379 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 70 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011385 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 80 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL23111011389 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 90 | [M-H]- | NEGATIVE | MS2 |
MSBNK-BAFG-CSL2311106810 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 10 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106816 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 100 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106805 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 110 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106802 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 120 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106804 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 130 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106817 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 140 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106809 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 150 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106807 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 20 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106813 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 30 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106806 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 40 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106814 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 40 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106815 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 50 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106812 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 60 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106808 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 70 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106811 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 80 | [M+H]+ | POSITIVE | MS2 |
MSBNK-BAFG-CSL2311106803 | TripleTOF 5600 SCIEX | LC-ESI-QTOF | 90 | [M+H]+ | POSITIVE | MS2 |
MSBNK-Fac_Eng_Univ_Tokyo-JP002818 | Unknown | EI-B | - | - | POSITIVE | MS |
MSBNK-Fac_Eng_Univ_Tokyo-JP003188 | Unknown | CI-B | - | - | POSITIVE | MS |
MSBNK-Waters-WA001345 | ZQ, Waters | LC-ESI-Q | - | - | NEGATIVE | MS |
MSBNK-Waters-WA000305 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA000306 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA000307 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA000308 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA000309 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA000310 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA001340 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA001341 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA001342 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA001343 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |
MSBNK-Waters-WA001344 | ZQ, Waters | LC-ESI-Q | - | - | POSITIVE | MS |