MassBank Record: JP006219



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

ACCESSION: JP006219
RECORD_TITLE: HEPTYL DECANOATE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL DECANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H34O2 CH$EXACT_MASS: 270.25588 CH$SMILES: CCCCCCCCCC(=O)OCCCCCCC CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3 CH$LINK: INCHIKEY MPLLSYWBBPPERF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-00di-2590000000-629cb228ff289bc8ca83 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 84 3.23 32 85 2.16 22 87 1.28 13 95 1.17 12 97 6.32 63 98 15.22 152 99 2.09 21 129 1.81 18 143 1.18 12 153 2.3 23 155 15.46 155 156 1.54 15 171 5.47 55 172 2.41 24 173 49.32 493 174 5.78 58 213 2.55 26 269 5.92 59 270 2.49 25 271 99.99 999 272 19.1 191 273 2.23 22 //