MassBank Record: JP010902



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

ACCESSION: JP010902
RECORD_TITLE: HEPTYL 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$NAME: HEPTYL 2-ETHYLBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H26O2 CH$EXACT_MASS: 214.19328 CH$SMILES: CCCCCCCOC(=O)C(CC)CC CH$IUPAC: InChI=1S/C13H26O2/c1-4-7-8-9-10-11-15-13(14)12(5-2)6-3/h12H,4-11H2,1-3H3 CH$LINK: INCHIKEY ZAQPYAQFZYEMDO-UHFFFAOYSA-N
AC$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: splash10-05mp-9100000000-c0f05f7d1ddd25a4e4b4 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 27 16.5 165 29 28.1 281 31 1 10 39 10.6 106 41 44.2 442 42 15.7 157 43 79.1 791 44 2.1 21 45 1.6 16 53 2.2 22 54 2.5 25 55 30.2 302 56 31.8 318 57 48.3 483 58 1.7 17 67 1.2 12 68 2.7 27 69 15.1 151 70 26.8 268 71 60.1 601 72 2.7 27 73 6 60 83 2.7 27 87 13.1 131 88 25.1 251 89 8.2 82 97 1.1 11 98 27.5 275 99 36.4 364 100 1.9 19 101 2 20 116 1.7 17 117 99.99 999 118 6.9 69 143 1.8 18 186 2.6 26 //