MassBank Record: MSBNK-Keio_Univ-KO000972
ACCESSION: MSBNK-Keio_Univ-KO000972
RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 151
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-dd0a48d9d6528f6a0a6a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
59.000 79208.0 999
92.300 19802.0 250
//