MassBank Record: MSBNK-Keio_Univ-KO003702
ACCESSION: MSBNK-Keio_Univ-KO003702
RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-3900000000-f84099310300fe9824f2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
55.300 54455.5 61
57.200 79208.0 88
69.200 39604.0 44
70.300 14851.5 17
72.800 29703.0 33
77.100 188119.0 210
83.000 49505.0 55
84.200 74257.5 83
86.000 108911.0 121
88.100 217822.0 243
97.800 34653.5 39
101.900 138614.0 155
117.200 158416.0 177
118.200 544555.0 607
118.600 44554.5 50
121.200 14851.5 17
130.200 237624.0 265
131.000 896040.5 999
158.000 89109.0 99
//