MassBank Record: MSBNK-Keio_Univ-KO003783
ACCESSION: MSBNK-Keio_Univ-KO003783
RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 186
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-3900000000-76c6900db1ecb22c9dc6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
50.300 603961.0 37
64.000 113861.5 7
68.100 316832.0 19
69.700 19802.0 1
69.900 19802.0 1
78.100 153465.5 9
81.100 39604.0 2
81.900 698020.5 42
86.400 24752.5 2
88.200 7594067.0 461
92.900 257426.0 16
94.900 29703.0 2
96.400 24752.5 2
99.200 24752.5 2
100.000 14851.5 1
103.300 34653.5 2
107.200 445545.0 27
109.100 54455.5 3
118.900 44554.5 3
123.300 470297.5 29
125.700 19802.0 1
131.700 84158.5 5
133.000 821783.0 50
137.200 34653.5 2
139.700 19802.0 1
150.100 361386.5 22
151.100 2009903.0 122
152.900 29703.0 2
154.200 554456.0 34
168.200 153465.5 9
169.500 3608914.5 219
186.100 16445561.0 999
//