MassBank Record: MSBNK-Keio_Univ-KO003786
ACCESSION: MSBNK-Keio_Univ-KO003786
RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:40 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 P060
CH$NAME: O-Phosphoserine
CH$NAME: 3-Phosphoserine
CH$NAME: O-Phospho-L-serine
CH$NAME: L-O-Phosphoserine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8NO6P
CH$EXACT_MASS: 185.00892
CH$SMILES: N[C@@H](COP(O)(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
CH$LINK: CAS
407-41-0
CH$LINK: CHEBI
15811
CH$LINK: KEGG
C01005
CH$LINK: NIKKAJI
J136.545B
CH$LINK: PUBCHEM
SID:4251
CH$LINK: INCHIKEY
BZQFBWGGLXLEPQ-REOHCLBHSA-N
CH$LINK: COMPTOX
DTXSID1046348
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 186
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-63cde6935414b6893a5f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
42.200 341584.5 290
55.000 34653.5 29
57.100 34653.5 29
67.200 64356.5 55
70.100 1178219.0 999
71.300 49505.0 42
72.700 14851.5 13
77.100 143564.5 122
79.300 69307.0 59
81.200 168317.0 143
85.900 24752.5 21
88.000 376238.0 319
90.700 44554.5 38
91.200 148515.0 126
93.200 84158.5 71
99.000 94059.5 80
105.100 64356.5 55
107.900 49505.0 42
111.000 9901.0 8
//