MassBank Record: MSBNK-Keio_Univ-KO003019
ACCESSION: MSBNK-Keio_Univ-KO003019
RECORD_TITLE: sn-Glycero-3-phosphocholine; 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 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$INSTRUMENT: API3000, Applied Biosystems
AC$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 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0090000000-4d6bae123223c831241e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
68.000 24752.5 1
77.900 470297.5 3
82.400 54455.5 1
86.100 19802.0 1
96.700 29703.0 1
100.800 14851.5 1
104.100 5965352.5 43
105.000 24752.5 1
113.900 9901.0 1
124.800 49505.0 1
127.000 19802.0 1
128.900 19802.0 1
134.800 44554.5 1
137.900 9901.0 1
142.300 59406.0 1
149.000 14851.5 1
152.300 1450496.5 11
158.400 14851.5 1
163.200 14851.5 1
164.600 34653.5 1
166.100 103960.5 1
168.100 44554.5 1
176.800 14851.5 1
181.500 29703.0 1
184.200 84158.5 1
185.300 29703.0 1
194.200 54455.5 1
198.100 163366.5 1
204.200 24752.5 1
205.600 44554.5 1
208.400 39604.0 1
222.300 54455.5 1
223.400 554456.0 4
226.000 321782.5 2
239.900 79208.0 1
241.400 1881190.0 14
258.300 137326870.0 999
//
system version 2.2.8-SNAPSHOT