MassBank Record: JP002687



 1-O-OCTADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002687
RECORD_TITLE: 1-O-OCTADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-O-OCTADECYL-2,3-DI-O-ACETYLGLYCEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H48O5 CH$EXACT_MASS: 428.35017 CH$SMILES: CCCCCCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O CH$IUPAC: InChI=1S/C25H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-25(30-24(3)27)22-29-23(2)26/h25H,4-22H2,1-3H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 250 eV AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA
PK$SPLASH: splash10-004i-9200000000-470cfc6d287e2481e95c PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 74 8.6 86 77 99.99 999 78 10.4 104 91 2.7 27 94 4 40 98 5.1 51 99 9.1 91 100 0.6 6 103 9.4 94 122 9.1 91 124 4.3 43 126 11.7 117 132.5 8.4 84 //