MassBank Record: JP008091



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

ACCESSION: JP008091
RECORD_TITLE: BENZYL CYANIDE; 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$NAME: BENZYL CYANIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7N CH$EXACT_MASS: 117.05785 CH$SMILES: N#CCc(c1)cccc1 CH$IUPAC: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 CH$LINK: INCHIKEY SUSQOBVLVYHIEX-UHFFFAOYSA-N
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-4900000000-7fb420e2a4693843bcc6 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 39 0.88 9 51 3.61 36 63 1.37 14 64 1.17 12 65 2.24 22 77 5.06 51 78 0.78 8 89 12.29 123 90 28.49 285 91 5.95 60 116 24.49 245 117 99.99 999 118 9.17 92 119 0.88 9 //