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MassBank Record: KO001001

m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001001
RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H019

CH$NAME: m-Hydroxybenzoate
CH$NAME: 3-Hydroxybenzoate
CH$NAME: m-Hydroxybenzoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6O3
CH$EXACT_MASS: 138.03169
CH$SMILES: OC(=O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: CAS 99-06-9
CH$LINK: CHEBI 30764
CH$LINK: CHEMPDB 3HB
CH$LINK: KEGG C00587
CH$LINK: NIKKAJI J43.202D
CH$LINK: PUBCHEM SID:3866
CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021610

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 137
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-9000000000-7e857f89355a610eeaff
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  44.800 69307.0 777
  59.400 54455.5 611
  93.100 89109.0 999
  95.700 29703.0 333
  101.900 14851.5 167
//

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