ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002686
RECORD_TITLE: HEXADECYL-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$NAME: HEXADECYL-2,3-DI-O-ACETYLGLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₄O₅
CH$EXACT_MASS: 400.31887
CH$SMILES: CCCCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-23(28-22(3)25)20-27-21(2)24/h23H,4-20H2,1-3H3
CH$LINK: INCHIKEY RNBQLCHIPDBXCF-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$SPLASH: splash10-00or-9700400000-f99a52bb28a702819faf
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  77 99.99 999
  84 8.2 82
  86 8.5 85
  87 7 70
  88 2 20
  89 7.9 79
  91 4.9 49
  94 0.98 10
  96 8.6 86
  97 9.6 96
  98 12.8 128
  100 0.86 9
  110 9.1 91
  111 7.8 78
  112 16.9 169
  114 1 10
  117 7 70
  124 7.7 77
  128 7.2 72
  133 1.02 10
  134 7.4 74
  136 12.9 129
  137 10.7 107
  141 0.98 10
  159 12.7 127
  178 8.4 84
  179 8.4 84
  180 2.35 24
  194 18.1 181
  418 63.7 637
  419 16 160
//