MassBank Record: JP010908



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

ACCESSION: JP010908
RECORD_TITLE: HEPTYL 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$NAME: HEPTYL 2-METHYLBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H24O2 CH$EXACT_MASS: 200.17763 CH$SMILES: CCCCCCCOC(=O)C(C)CC CH$IUPAC: InChI=1S/C12H24O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h11H,4-10H2,1-3H3 CH$LINK: INCHIKEY CSFWIAGTSVOEOD-UHFFFAOYSA-N
AC$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: splash10-0a4i-9100000000-c1f8ec216d0214ccdb0b PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 27 12.1 121 29 30.1 301 39 8.1 81 41 40.6 406 42 11 110 43 21.9 219 53 1.4 14 54 2 20 55 18.9 189 56 33.8 338 57 99.99 999 58 4.8 48 68 2.6 26 69 13.4 134 70 22.6 226 71 1.7 17 74 13.4 134 75 2.2 22 83 2.3 23 85 31.4 314 86 1.5 15 87 4.2 42 97 1.2 12 98 21.6 216 99 1.5 15 102 2.4 24 103 65.5 655 104 4.1 41 143 1.5 15 172 1.3 13 //