MassBank Record: JP012135



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

ACCESSION: JP012135
RECORD_TITLE: HEPTANE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: IIDA YFAC. OF ENGINEERING, SEIKEI UNIV., DAISHIMA SFAC. OF ENGINEERING, SEIKEI UNIV., FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16 CH$EXACT_MASS: 100.12520 CH$SMILES: CCCCCCC CH$IUPAC: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 CH$LINK: CAS 142-82-5 CH$LINK: INCHIKEY IMNFDUFMRHMDMM-UHFFFAOYSA-N
AC$INSTRUMENT: FINNIGAN-MAT 4500 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-052b-9000000000-cd5fb3334021134f2ac9 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 57 96.21 962 58 4.55 46 71 17.7 177 72 1.06 11 85 45.9 459 86 3.23 32 99 99.99 999 100 12.56 126 //