ACCESSION: MSBNK-JEOL_Ltd-JEL00005
RECORD_TITLE: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
CH$NAME: Phosphatidyl choline(16:0,18:1)
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄₂H₈₂NO₈P
CH$EXACT_MASS: 759.57781
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CH$IUPAC: InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
CH$LINK: INCHIKEY WTJKGGKOPKCXLL-VYOBOKEXSA-N
CH$LINK: PUBCHEM CID:5497103

AC$INSTRUMENT: JMS-S3000
AC$INSTRUMENT_TYPE: MALDI-TOFTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_M/Z 760.58508

PK$SPLASH: splash10-001i-6910000000-ff2f1026b49ef0de734a
PK$NUM_PEAK: 100
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//