MassBank Record: KO000998

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m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000998
RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:10 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: COMPTOX DTXSID6021610
CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N
CH$LINK: KEGG C00587
CH$LINK: NIKKAJI J43.202D
CH$LINK: PUBCHEM SID:3866

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 10 V

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

PK$SPLASH: splash10-000i-0900000000-3af4e5d6be21011f5230
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44.8 183168.0 8.0
  45.4 19802.0 1.0
  59.0 480198.0 20.0
  76.7 19802.0 1.0
  78.9 29703.0 1.0
  93.0 1079210.0 45.0
  96.8 9901.0 1.0
  101.2 14851.5 1.0
  107.1 44554.5 2.0
  115.2 2034660.0 85.0
  119.0 69307.0 3.0
  128.2 133664.0 6.0
  137.1 2.39753E7 999.0
  146.2 74257.5 3.0
  153.0 19802.0 1.0
  158.3 94059.5 4.0
  185.3 19802.0 1.0
  194.5 9901.0 1.0
  197.5 9901.0 1.0
  201.9 128713.0 5.0
  215.3 59406.0 2.0
//