MassBank Record: JP006973



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

ACCESSION: JP006973
RECORD_TITLE: CIS-3-HEXENYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O2 CH$EXACT_MASS: 170.13068 CH$SMILES: CCC=CCCOC(=O)C(C)C CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5- CH$LINK: INCHIKEY OSMAJVWUIUORGC-WAYWQWQTSA-N
AC$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: splash10-00l6-9000000000-3c37790c710a424b9299 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 15 1.25 13 26 1.22 12 27 23.56 236 28 2.5 25 29 8.57 86 39 19.9 199 40 2.53 25 41 43.72 437 42 6.47 65 43 99.99 999 44 3.29 33 51 1.38 14 53 5.24 52 54 7.31 73 55 18.67 187 56 1.46 15 66 1.15 12 67 83.1 831 68 4.55 46 69 2.05 21 70 1.19 12 71 53.61 536 72 2.1 21 79 1.24 12 81 4.93 49 82 86.45 865 83 6.35 64 89 1.41 14 //