MassBank Record: JP007077



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

ACCESSION: JP007077
RECORD_TITLE: BENZYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL ISOVALERATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CC(C)CC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 CH$LINK: CAS 103-38-8 CH$LINK: INCHIKEY HVJKZICIMIWFCP-UHFFFAOYSA-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$SPLASH: splash10-0006-9100000000-f2c708c08313abae60ff PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 27 5.79 58 29 12.65 127 39 7.6 76 41 12.25 123 50 1.23 12 51 4.63 46 52 1.15 12 55 1.54 15 56 1.1 11 57 36 360 58 1.34 13 63 2.4 24 65 10.35 104 77 6.09 61 78 1.29 13 79 4.2 42 85 11.4 114 89 3.48 35 90 5.39 54 91 99.99 999 92 9.13 91 105 1.32 13 107 3.3 33 108 16.41 164 109 1.09 11 192 12.53 125 193 1.38 14 //