MassBank Record: JP001516



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

ACCESSION: JP001516
RECORD_TITLE: BENZYL CYANIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, 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
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$SPLASH: splash10-014i-9700000000-aa951610ae3086079fc3 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 26 1.27 13 28 2.79 28 37 2.76 28 38 4.47 45 39 11.2 112 40 1.66 17 41 1.1 11 49 1.27 13 50 9.01 90 51 13.7 137 52 2.51 25 585 2.96 30 61 2.51 25 62 4.98 50 63 11.06 111 64 4.28 43 65 4.87 49 74 2.48 25 75 2.12 21 76 1.78 18 77 6.64 66 78 1.21 12 87 1.49 15 88 2.42 24 89 20.09 201 90 38.95 390 91 7.69 77 115 1.16 12 116 34.22 342 117 99.99 999 118 9.2 92 //