MassBank Record: JP006832



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

ACCESSION: JP006832
RECORD_TITLE: CIS-3-HEXENYL CROTONATE; 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$NAME: CIS-3-HEXENYL CROTONATE CH$NAME: CIS-3-HEXENYL TRANS-2-BUTENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16O2 CH$EXACT_MASS: 168.11503 CH$SMILES: CCC=CCCOC(=O)C=CC CH$IUPAC: InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+ CH$LINK: INCHIKEY KITGYVIOYOCIIE-QNMAEOQASA-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$SPLASH: splash10-014i-9000000000-c727e746c3c867f93a01 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 27 8.83 88 29 4.36 44 38 1.51 15 39 30.36 304 40 1.81 18 41 48.45 485 42 3.8 38 51 1.13 11 53 4.6 46 54 6.5 65 55 7.48 75 67 57.27 573 68 4.61 46 69 99.99 999 70 4.52 45 81 4.21 42 82 62.24 622 83 4.02 40 87 3.77 38 //