MassBank Record: MCH00007



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

ACCESSION: MCH00007
RECORD_TITLE: Gentisic acid; MALDI-TOF; MS; Pos
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] MCH00007.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 CH$LINK: PUBCHEM CID:3469
AC$INSTRUMENT: Voyager DE-PRO, Applied Biosystems AC$INSTRUMENT_TYPE: MALDI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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$SPLASH: splash10-0k9i-0930000000-74fe4a48aee9f8ddfe28 PK$ANNOTATION: m/z ion 273.04 [2M+H-2H2O]+ 177.02 [M+Na]+ 155.02 [M+H-H2O]+ 154.02 [M]*+ PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 137.025554 47242 999 138.030979 5104 108 154.01965 27623 584 155.024178 22409 474 156.031937 5630 119 177.017396 2952 62 221.036143 1103 23 273.04325 23200 491 274.04409 3966 84 275.039092 1845 39 288.272724 4326 91 289.282686 1022 22 290.02638 1560 33 291.040025 962 20 316.304157 1070 23 331.002221 1410 30 409.022841 1081 23 439.00528 1220 26 //

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