MassBank Record: MSBNK-Keio_Univ-KO003704
ACCESSION: MSBNK-Keio_Univ-KO003704
RECORD_TITLE: Phenyl phosphate; 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 P033
CH$NAME: Phenyl phosphate
CH$NAME: Phenolic phosphate
CH$NAME: Phenylphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7O4P
CH$EXACT_MASS: 174.00820
CH$SMILES: c(c1)ccc(c1)OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
CH$LINK: CAS
701-64-4
CH$LINK: KEGG
C02734
CH$LINK: NIKKAJI
J32.914B
CH$LINK: PUBCHEM
SID:5695
CH$LINK: INCHIKEY
CMPQUABWPXYYSH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044981
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014u-9500000000-b1fa95f3fe9d70a6f780
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
61.000 14851.5 91
72.400 29703.0 182
77.200 69307.0 424
84.200 14851.5 91
88.000 54455.5 333
89.900 64356.5 394
90.200 54455.5 333
91.200 89109.0 545
117.000 64356.5 394
118.200 163366.5 999
129.800 14851.5 91
//