MassBank Record: JP008491



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

ACCESSION: JP008491
RECORD_TITLE: CIS-3-HEXENYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H16O2 CH$EXACT_MASS: 204.11503 CH$SMILES: CCC=CCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3- CH$LINK: INCHIKEY BCOXBEHFBZOJJZ-ARJAWSKDSA-N
AC$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: splash10-0arr-9200000000-81473c0496fc70351f74 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 16 1.22 12 27 7.66 77 29 3.06 31 39 11.17 112 41 17.32 173 42 2.06 21 50 4.67 47 51 19.91 199 52 1.66 17 53 4.18 42 54 5.51 55 55 4.89 49 65 1.65 17 66 1.05 11 67 63.27 633 68 3.4 34 75 1.22 12 76 3.06 31 77 61.22 612 78 3.79 38 79 2.31 23 81 4.06 41 82 97.45 975 83 5.33 53 105 99.99 999 106 6.13 61 123 3.76 38 //