MassBank Record: JP002095



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

ACCESSION: JP002095
RECORD_TITLE: ORTHO-CYANOBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-CYANOBENZALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H5NO CH$EXACT_MASS: 131.03711 CH$SMILES: N#Cc(c1)c(C=O)ccc1 CH$IUPAC: InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-0udi-5900000000-409f18589016609c8a58 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 2.41 24 29 2.97 30 37 2.62 26 38 2.41 24 39 3.38 34 49 1.93 19 50 14.9 149 51 8.9 89 51.5 1.52 15 52 3.31 33 61 1.38 14 62 1.38 14 63 1.59 16 73 1.38 14 74 4.83 48 75 15.03 150 76 38.14 381 77 3.86 39 102 31.03 310 103 99.99 999 104 24.41 244 105 1.52 15 130 23.1 231 131 8.14 81 132 1.38 14 //