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MassBank Record: KO000968

4-Hydroxyphenylacetic 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: KO000968
RECORD_TITLE: 4-Hydroxyphenylacetic 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 H006

CH$NAME: p-Hydroxyphenylacetate
CH$NAME: 4-Hydroxyphenylacetic acid
CH$NAME: 4-Hydroxyphenylacetate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
CH$LINK: CAS 156-38-7
CH$LINK: CHEBI 18101
CH$LINK: KEGG C00642
CH$LINK: NIKKAJI J5.873D
CH$LINK: PUBCHEM SID:3915
CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059745

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$FOCUSED_ION: PRECURSOR_M/Z 151
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0zfr-0900000000-369a695f2c7bcf3a4a5c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.100 2301982.5 148
  80.900 14851.5 1
  91.700 24752.5 2
  92.800 84158.5 5
  95.200 24752.5 2
  106.100 163366.5 11
  107.200 9173276.5 590
  108.100 24752.5 2
  114.700 19802.0 1
  119.800 49505.0 3
  121.200 143564.5 9
  135.600 59406.0 4
  136.100 29703.0 2
  151.200 15519817.5 999
//

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