MassBank Record: JP008189



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

ACCESSION: JP008189
RECORD_TITLE: BENZYL CYANIDE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , NARA WOMEN'S UNIVERSITY
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: CAS 140-29-4 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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9700000000-44dc07c52f713661d49d PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 18 1.07 11 26 2.14 21 27 3.34 33 28 3.04 30 29 2.05 21 31 3.52 35 32 2.63 26 37 2.39 24 38 4.87 49 39 9.68 97 40 2.33 23 41 1.12 11 49 1.03 10 50 8.98 90 51 12.06 121 52 2.88 29 59 1.27 13 61 2.74 27 62 5.92 59 63 12.73 127 64 4.42 44 65 4.44 44 74 2.85 29 75 2.47 25 76 2.33 23 77 6.18 62 78 1.69 17 86 1.22 12 87 1.69 17 88 2.37 24 89 21.1 211 90 36.73 367 91 8.47 85 116 34.61 346 117 99.99 999 118 9.23 92 //