MassBank Record: JP006144



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

ACCESSION: JP006144
RECORD_TITLE: BENZYL CYANIDE; EI-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$NAME: BENZYL CYANIDE CH$NAME: PHENYLACETONITRILE 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$INSTRUMENT: HITACHI M-80 AC$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$SPLASH: splash10-014i-6900000000-9fa568274538519d6221 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 39 6.86 69 41 1.57 16 51 17.79 178 52 2.24 22 63 6.36 64 77 9.78 98 78 1.12 11 90 51.63 516 91 9.65 97 116 31.15 312 117 99.99 999 118 9.49 95 //