MassBank Record: MSBNK-Keio_Univ-KO003701
ACCESSION: MSBNK-Keio_Univ-KO003701
RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053r-1900000000-0c431114e864fde60cdb
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
62.600 74257.5 40
71.800 14851.5 8
73.800 113861.5 62
77.000 69307.0 38
80.900 79208.0 43
82.300 24752.5 13
83.200 148515.0 81
84.900 39604.0 21
88.100 356436.0 193
96.400 44554.5 24
96.800 19802.0 11
102.300 158416.0 86
112.400 29703.0 16
115.300 29703.0 16
117.000 49505.0 27
118.300 64356.5 35
121.800 173267.5 94
128.600 44554.5 24
129.900 529703.5 287
130.900 1841586.0 999
133.300 34653.5 19
139.900 59406.0 32
156.900 94059.5 51
157.900 1529704.5 830
175.300 188119.0 102
//