MassBank Record: MCH00006



 Gentisic acid; MALDI-TOF; MS; Neg 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MCH00006
RECORD_TITLE: Gentisic acid; MALDI-TOF; MS; Neg
DATE: 2016.01.19 (2010.10.06, 2011.05.11)
AUTHORS: Wada YOsaka Medical Center for Maternal and Child Health, Osaka Medical Center for Maternal and Child Health
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] MCH00006.jpg

CH$NAME: 2,5-Dihydroxybenzoic acid CH$NAME: DHB CH$NAME: Gentisic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H6O4 CH$EXACT_MASS: 154.02661 CH$SMILES: Oc(c1)cc(C(O)=O)c(O)c1 CH$IUPAC: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078
AC$INSTRUMENT: Voyager DE-PRO, Applied Biosystems AC$INSTRUMENT_TYPE: MALDI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: LASER UV 337 nm nitrogen lazer, 20 Hz, 10 nsec AC$MASS_SPECTROMETRY: SAMPLE_DRIPPING 10 mg/mL AC$CHROMATOGRAPHY: SOLVENT 30% acetonitrile / 0.1% trifloroacetic acid
PK$SPLASH: splash10-0udi-0902000000-a048c2dc2dbb44fca571 PK$ANNOTATION: m/z ion 329.07 [2M-2H+Na]- 307.04 [2M-H]- 153.02 [M-H]- 152.01 [M-2H]- PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 108.099566 2809 23 152.005378 119550 999 153.01824 91935 768 153.121399 7270 61 154.02557 9715 81 289.059928 4180 35 307.04484 21784 182 308.053946 3327 28 314.055461 6639 55 315.052218 20318 170 316.067178 3040 25 329.067807 3688 31 341.031964 5070 42 409.06729 3254 27 499.103447 5026 42 //

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