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: 138.031689999999997553459252230823040008544921875
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.
  44.800 183168.5 8
  45.400 19802.0 1
  59.000 480198.5 20
  76.700 19802.0 1
  78.900 29703.0 1
  93.000 1079209.0 45
  96.800 9901.0 1
  101.200 14851.5 1
  107.100 44554.5 2
  115.200 2034655.5 85
  119.000 69307.0 3
  128.200 133663.5 6
  137.100 23975271.5 999
  146.200 74257.5 3
  153.000 19802.0 1
  158.300 94059.5 4
  185.300 19802.0 1
  194.500 9901.0 1
  197.500 9901.0 1
  201.900 128713.0 5
  215.300 59406.0 2
//