MassBank Record: JP003356



 GLYCERYL TRIACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003356
RECORD_TITLE: GLYCERYL TRIACETATE; 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$NAME: GLYCERYL TRIACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14O6 CH$EXACT_MASS: 218.07904 CH$SMILES: CC(=O)OCC(COC(C)=O)OC(C)=O CH$IUPAC: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
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$SPLASH: splash10-0zfs-3900000000-0e517995b789bd89015d PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 41 41.1 411 45 5.4 54 54 4.5 45 55 7.2 72 56 17.1 171 60 12.6 126 73 18.5 185 74 1.58 16 75 3.1 31 86 19.9 199 98 4.5 45 99 0.58 6 103 99.99 999 104 5.4 54 115 31.6 316 116 4.43 44 117 8.5 85 145 89.1 891 146 5.8 58 158 0.4 4 159 74.6 746 160 5.8 58 //