MoNA MS database records for 3-Hydroxy-3-methylglutaric acid
Massbank ID | Instrument | Inst. type | MS type | Collision energy | Ion type | Ion mode | MS level |
---|---|---|---|---|---|---|---|
MoNA032000 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+Na]+ | positive | MS2 |
MoNA032001 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+Na]+ | positive | MS2 |
MoNA032002 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+Na]+ | positive | MS2 |
MoNA033912 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M-H]- | negative | MS2 |
MoNA033914 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M-H]- | negative | MS2 |
MoNA033915 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M-H]- | negative | MS2 |
MoNA034882 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M-H]- | negative | MS2 |
MoNA034883 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M-H]- | negative | MS2 |
MoNA034884 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M-H]- | negative | MS2 |
KO001120 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M-H]- | negative | MS2 |
KO001121 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M-H]- | negative | MS2 |
KO001122 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M-H]- | negative | MS2 |
KO001123 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M-H]- | negative | MS2 |
KO001124 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M-H]- | negative | MS2 |
GLS00153 | GCMS-2010 Plus, Shimadzu | EI-B | - | - | - | positive | MS1 |
PR309125 | LC, Waters Acquity UPLC System... | LC-ESI-QTOF | ESI | 6V | [M-H]- | negative | MS2 |
FiehnLib000586 | Leco Pegasus IV | GC-EI-TOF | - | - | - | positive | MS1 |
CCMSLIB00005464132 | Orbitrap | - | - | - | [M+Na]+ | positive | MS2 |
CCMSLIB00005464180 | Orbitrap | - | - | - | [M-H]- | negative | MS2 |
CCMSLIB00005464181 | Orbitrap | - | - | - | [2M-2H+Na]- | negative | MS2 |
OUF00048 | Pegasus III TOF-MS system, Lec... | GC-EI-TOF | - | - | - | positive | MS1 |
CCMSLIB00005720687 | qTof | - | - | - | [M-H]- | negative | MS2 |
PT109450 | Q-Tof Premier, Waters | LC-Q-TOF/MS | ESI | Ramp 5-45 V | [M+H]+ | positive | MS2 |
PT209450 | Q-Tof Premier, Waters | LC-Q-TOF/MS | ESI | Ramp 5-45 V | [M-H]- | negative | MS2 |
FiehnHILIC002498 | SCIEX TripleTOF 6600 | LC-ESI-QTOF | - | 35 eV | [M-H]- | negative | MS2 |
VF-NPL-LTQ005247 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2 |
VF-NPL-LTQ005248 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2-MS2 Composite |
FiehnHILIC000954 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
MoNA031857 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+Na]+ | positive | MS2 |
MoNA031859 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+Na]+ | positive | MS2 |
MoNA037029 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+Na]+ | positive | MS2 |
MoNA037124 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+Na]+ | positive | MS2 |
MoNA037734 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
MoNA037828 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
VF-NPL-QEHF021190 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF021191 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF021192 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF021193 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF021194 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF021195 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF021196 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF021197 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF021198 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF021199 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF021200 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF021201 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF021202 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+NH4]+ | positive | MS2 |
VF-NPL-QEHF021203 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+NH4]+ | positive | MS2 |
VF-NPL-QEHF021204 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+NH4]+ | positive | MS2 |
EMBL-MCF_spec160749 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
EMBL-MCF_spec160752 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
EMBL-MCF_spec160753 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
EMBL-MCF_spec41794 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
MoNA024214 | Thermo Scientific Orbitrap ID-... | LC-ESI-Orbitrap | ESI | HCD (NCE 40%) | [M+H]+ | positive | MS2 |
PS094505 | TQD, Waters | Flow-injection QqQ/MS | ESI | 50 | [M+H]+ | positive | MS2 |
PS094507 | TQD, Waters | Flow-injection QqQ/MS | ESI | 10 | [M-H]- | negative | MS2 |
PR100380 | UPLC Q-Tof Premier, Waters | LC-ESI-QTOF | ESI | Ramp 5-60 V | [M+H]+ | positive | MS2 |
PR100830 | UPLC Q-Tof Premier, Waters | LC-ESI-QTOF | ESI | Ramp 5-60 V | [M-H]- | negative | MS2 |
MoNA016898 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M+Na]+ | positive | - |
Bruker_HCD_library000500 | XEVO-G2S | - | - | - | [M-H]- | negative | MS2 |
Bruker_HCD_library001452 | XEVO-G2S | - | - | - | [M-H2O+H]+ | positive | MS2 |
HMDB0000355_c_ms_1288 | XEVO-G2S | GC-MS | - | - | - | - | - |
HMDB0000355_ms_ms_567 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | - |
HMDB0000355_ms_ms_568 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | - |
HMDB0000355_ms_ms_569 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | - |
HMDB0059737_c_ms_1288 | XEVO-G2S | GC-MS | - | - | - | - | - |
HMDB0059737_ms_ms_567 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | MS2 |
HMDB0059737_ms_ms_568 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | MS2 |
HMDB0059737_ms_ms_569 | XEVO-G2S | Quattro_QQQ | - | - | - | positive | MS2 |