MassBank Record: JP001309



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

ACCESSION: JP001309
RECORD_TITLE: ACETIC ACID HEPTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID HEPTYL ESTER CH$NAME: HEPTYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H18O2 CH$EXACT_MASS: 158.13068 CH$SMILES: CCCCCCCOC(C)=O CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M 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: splash10-052f-9000000000-853410267495be366ea2 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 3.28 33 27 8.37 84 28 3.6 36 29 12.08 121 31 1.69 17 39 5.72 57 41 26.48 265 42 18.54 185 43 99.99 999 44 3.07 31 54 3.28 33 55 29.77 298 56 46.08 461 57 13.67 137 58 3.39 34 61 21.19 212 68 4.56 46 69 19.28 193 70 35.49 355 71 2.86 29 73 6.78 68 83 3.6 36 97 1.48 15 98 9.11 91 101 1.17 12 116 1 10 //