MassBank Record: JP003357



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

ACCESSION: JP003357
RECORD_TITLE: GLYCERYL TRIBUTYRATE; 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$NAME: GLYCERYL TRIBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O6 CH$EXACT_MASS: 302.17294 CH$SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC CH$IUPAC: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
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$SPLASH: splash10-00di-9100000000-a0f9426f5cd5d1ad3c83 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 44 5 50 45 3 30 54 3.3 33 56 4.7 47 59 2 20 60 4.2 42 70 2.2 22 71 99.99 999 72 7.7 77 73 3.2 32 74 3.9 39 87 0.4 4 89 6.4 64 102 2 20 131 11.1 111 143 0.28 3 145 6.2 62 201 5.5 55 215 8.9 89 216 0.1 1 229 1 10 //