MassBank Record: JP010904



 CIS-3-HEXENYL 2-ETHYLBUTYRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010904
RECORD_TITLE: CIS-3-HEXENYL 2-ETHYLBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL 2-ETHYLBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CCC=CCCOC(=O)C(CC)CC CH$IUPAC: InChI=1S/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7- CH$LINK: INCHIKEY LFDWLVXNYKQQBT-FPLPWBNLSA-N
AC$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: splash10-00sl-9000000000-827b7089dc1adc1ba117 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 27 11.3 113 29 12.7 127 39 10.4 104 41 27.2 272 42 4.1 41 43 41.5 415 53 4.6 46 54 5.1 51 55 21.7 217 56 1.3 13 67 58.4 584 68 2.9 29 69 1.8 18 70 1.9 19 71 54 540 72 2.4 24 81 4.1 41 82 99.99 999 83 9.5 95 99 17.5 175 117 2.2 22 //