MassBank Record: MSBNK-Keio_Univ-KO009112
ACCESSION: MSBNK-Keio_Univ-KO009112
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-IT; MS2; m/z: 258; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G069
CH$NAME: Glycerophosphorylcholine
CH$NAME: Glycerophosphocholine
CH$NAME: sn-Glycero-3-phosphocholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H21NO6P+
CH$EXACT_MASS: 258.11065
CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C
CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
CH$LINK: CHEBI
16870
CH$LINK: KEGG
C00670
CH$LINK: PUBCHEM
SID:3939
CH$LINK: INCHIKEY
SUHOQUVVVLNYQR-MRVPVSSYSA-O
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 258
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0udi-0900000000-fce3a2f820cbe1cdd407
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
75.0 17.64 1
86.1 434.47 1
98.9 56.38 1
104.1 878855.71 999
105.4 706.07 1
108.3 103.22 1
110.1 31.48 1
111.4 45.00 1
117.6 48.53 1
119.1 709.57 1
120.5 56.64 1
125.0 1520.72 2
127.1 202.08 1
154.9 60.79 1
181.0 636.03 1
184.0 1400.31 2
186.5 106.29 1
199.0 750.97 1
211.8 55.12 1
223.1 344.41 1
230.1 115.81 1
239.0 134.15 1
240.1 985.79 1
241.0 279.36 1
257.1 66.22 1
258.2 9781.04 11
259.0 173.05 1
//