MassBank Record: JP006813



 CIS-3-HEPTENYL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006813
RECORD_TITLE: CIS-3-HEPTENYL 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$NAME: CIS-3-HEPTENYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O2 CH$EXACT_MASS: 156.11503 CH$SMILES: CCCC=CCCOC(C)=O CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5- CH$LINK: INCHIKEY AAYIYWGTGAUKQY-WAYWQWQTSA-N
AC$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: splash10-0006-9000000000-7e9c9fade1cabee8700f PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 5.71 57 27 10.9 109 28 2.19 22 29 7.54 75 39 11.9 119 40 1.59 16 41 17.34 173 42 3.87 39 43 99.99 999 44 2.11 21 51 1.2 12 53 4.94 49 54 52.49 525 55 17.8 178 56 1.05 11 65 1.35 14 67 24.38 244 68 5.63 56 73 3.03 30 79 1.39 14 81 34.17 342 82 2.24 22 95 1.56 16 96 25.73 257 97 2.33 23 //