MassBank Record: JP005209



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

ACCESSION: JP005209
RECORD_TITLE: HEPTYL ALCOHOL; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL ALCOHOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16O CH$EXACT_MASS: 116.12012 CH$SMILES: CCCCCCCO CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 CH$LINK: INCHIKEY BBMCTIGTTCKYKF-UHFFFAOYSA-N
AC$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 20 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0002-9200000000-b7cf5d50ed7cd0f902e2 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 84 7.6 76 96 4.62 46 97 47.64 476 98 20.38 204 99 99.99 999 100 25.54 255 101 0.95 10 114 4.22 42 115 15.71 157 116 1.37 14 117 4.49 45 //