ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003355
RECORD_TITLE: GLYCERYL DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: GLYCERYL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₅
CH$EXACT_MASS: 176.06847
CH$SMILES: OCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY UXDDRFCJKNROTO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70883105

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-4900000000-5f2019ffbc66382d4dc1
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  45 5.5 55
  55 5.1 51
  56 7.4 74
  59 3.5 35
  60 30.7 307
  73 10.6 106
  74 24.2 242
  86 1.59 16
  103 99.99 999
  104 5 50
  115 10.4 104
  116 1.66 17
  117 5.1 51
  145 33.4 334
  146 2.1 21
  159 10 100
//