MassBank Record: JP006502



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

ACCESSION: JP006502
RECORD_TITLE: CIS-3-HEXENYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O2 CH$EXACT_MASS: 170.13068 CH$SMILES: CCC=CCCOC(=O)CCC CH$IUPAC: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5- CH$LINK: INCHIKEY ZCHOPXVYTWUHDS-WAYWQWQTSA-N
AC$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: splash10-00rx-9000000000-93e85c48cd98fe637f24 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 15 2.14 21 26 1.91 19 27 28.05 281 28 10.32 103 29 12.43 124 31 1.64 16 38 1.31 13 39 17.19 172 40 4.67 47 41 51.53 515 42 8.95 90 43 77.63 776 44 2.72 27 45 1.47 15 51 1.52 15 53 6.4 64 54 9.06 91 55 18.38 184 56 1.49 15 65 1.98 20 66 1.44 14 67 99.04 990 68 5.84 58 69 2.47 25 71 88.63 886 72 3.66 37 80 1.21 12 81 6.46 65 82 99.99 999 83 8.83 88 89 1.62 16 //