ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY CUIQUZLQNGTWHR-UHFFFAOYSA-N

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
//