MassBank Record: JP002095

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ORTHO-CYANOBENZALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
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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: 131.037110000000012632881407625973224639892578125
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
CH$LINK: COMPTOX DTXSID80225653
CH$LINK: INCHIKEY QVTPWONEVZJCCS-UHFFFAOYSA-N

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
//