MassBank Record: JP006814



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

ACCESSION: JP006814
RECORD_TITLE: HEPTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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 CH$LINK: INCHIKEY ZCZSIDMEHXZRLG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B 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-9000000000-3768aad8cf9bcfef7e17 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 15 4.05 41 27 10.41 104 28 2.11 21 29 12.69 127 31 1 10 39 7.25 73 40 1.32 13 41 24.61 246 42 16.1 161 43 99.99 999 44 2.68 27 53 1.4 14 54 2.75 28 55 26.8 268 56 39.92 399 57 13.03 130 58 2.65 27 61 24.19 242 67 1.02 10 68 5.15 52 69 18.96 190 70 38.23 382 71 2.53 25 73 7.27 73 83 3.53 35 97 1.72 17 98 17.83 178 99 1.19 12 101 1.09 11 116 1.7 17 //