MassBank Record: JP007093



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

ACCESSION: JP007093
RECORD_TITLE: CIS-3-HEXENYL 2-METHYLBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL 2-METHYLBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H20O2 CH$EXACT_MASS: 184.14633 CH$SMILES: CCC=CCCOC(=O)C(C)CC CH$IUPAC: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6- CH$LINK: INCHIKEY JKKGTSUICJWEKB-SREVYHEPSA-N
AC$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: splash10-0api-9000000000-e7e4b03dfecd1df03363 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 12.63 126 29 23.62 236 39 13.78 138 41 39.22 392 42 3.47 35 43 1.8 18 53 5.51 55 54 6.93 69 55 20.41 204 56 4.29 43 57 84.87 849 58 3.06 31 67 75.43 754 68 4.86 49 69 1.32 13 79 1.05 11 81 5.75 58 82 99.99 999 83 9.32 93 85 28.88 289 86 1.45 15 103 1.81 18 //