MassBank Record: JP002546



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

ACCESSION: JP002546
RECORD_TITLE: ISOPROPYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O2 CH$EXACT_MASS: 130.09938 CH$SMILES: CCCC(=O)OC(C)C CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-9000000000-b1225eb54077c992b141 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 3.25 33 26 1.18 12 27 17.36 174 28 3.22 32 29 1.9 19 31 1.3 13 39 8.13 81 40 1.39 14 41 21.77 218 42 9.05 91 43 99.99 999 44 3.31 33 45 3.34 33 55 1.3 13 59 13.66 137 60 14.27 143 71 71.39 714 72 3.2 32 73 6.41 64 88 11.87 119 89 27.93 279 90 1.3 13 102 3.11 31 115 6.79 68 130 1.01 10 //