MassBank Record: MSBNK-Keio_Univ-KO001611
ACCESSION: MSBNK-Keio_Univ-KO001611
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-b98ca16de2cca2c926b9
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
44.800 19802.0 1
59.200 49505.0 1
74.700 19802.0 1
78.900 120579328.5 999
82.700 14851.5 1
84.900 108911.0 1
91.000 49505.0 1
96.900 39604.0 1
111.000 99010.0 1
127.100 44554.5 1
129.500 24752.5 1
130.300 69307.0 1
136.800 34653.5 1
154.900 59406.0 1
173.300 1143565.5 9
//