MassBank Record: JP002550



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

ACCESSION: JP002550
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL BUTYRATE CH$NAME: ISOPENTYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H18O2 CH$EXACT_MASS: 158.13068 CH$SMILES: CCCC(=O)OCCC(C)C CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
AC$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: splash10-00dl-9000000000-be743bf025ce1c0dc836 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 15 1.83 18 26 1.01 10 27 17.59 176 28 3.82 38 29 9.69 97 31 1.18 12 39 8.51 85 40 1.58 16 41 24 240 42 14.22 142 43 77.46 775 44 2.73 27 45 2.19 22 53 1.32 13 55 33.09 331 56 2.09 21 57 1.92 19 60 3.21 32 69 5.27 53 70 99.99 999 71 81.11 811 72 3.91 39 73 2.06 21 85 1.72 17 88 2.66 27 89 16.24 162 101 3.44 34 115 5 50 //