MassBank Record: KO000784

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o-Fluorobenzoic 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: KO000784
RECORD_TITLE: o-Fluorobenzoic 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 F024

CH$NAME: o-Fluorobenzoate
CH$NAME: 2-Fluorobenzoic acid
CH$NAME: 2-Fluorobenzoate
CH$NAME: o-Fluorobenzoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO2
CH$EXACT_MASS: 140.02735999999998739440343342721462249755859375
CH$SMILES: OC(=O)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
CH$LINK: CAS 445-29-4
CH$LINK: COMPTOX DTXSID1060001
CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N
CH$LINK: KEGG C02359
CH$LINK: NIKKAJI J26.901H
CH$LINK: PUBCHEM SID:5405

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$FOCUSED_ION: PRECURSOR_M/Z 139
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000j-8900000000-ea9023d8dba75f01d604
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  74.900 292079.5 2
  78.700 59406.0 1
  93.200 202970.5 1
  93.800 29703.0 1
  95.100 164539768.5 987
  138.000 89109.0 1
  138.900 166515018.0 999
  185.100 14851.5 1
//