MassBank Record: JP005321



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

ACCESSION: JP005321
RECORD_TITLE: HEPTANE; EI-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$NAME: HEPTANE CH$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$LINK: INCHIKEY IMNFDUFMRHMDMM-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6M 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: splash10-0006-9000000000-f0cc7fc3d738a53fb2f4 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 26 1.09 11 27 19.26 193 28 3.96 40 29 30.55 306 39 11.35 114 40 2.05 21 41 42.82 428 42 22.16 222 43 99.99 999 44 3.14 31 53 1.5 15 55 9.57 96 56 29.55 296 57 48.91 489 58 2.46 25 70 22.02 220 71 52.46 525 72 3.01 30 85 2.46 25 100 24.49 245 101 2.05 21 //