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MassBank Record: JP004004

HEXANENITRILE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP004004
RECORD_TITLE: HEXANENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEXANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11N
CH$EXACT_MASS: 97.08915
CH$SMILES: CCCCCC#N
CH$IUPAC: InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
CH$LINK: COMPTOX DTXSID0060858
CH$LINK: INCHIKEY AILKHAQXUAOOFU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12352

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0f96-9000000000-74b8ebaadeab3b89b6fc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  13 1.8 18
  14 3.1 31
  15 11 110
  26 1.1 11
  27 59.1 591
  28 21.3 213
  29 43.8 438
  30 0.15 2
  37 3.5 35
  38 5.3 53
  39 34 340
  40 0.9 9
  41 99.99 999
  42 12.9 129
  43 28.9 289
  44 0.2 2
  50 2 20
  51 3.5 35
  52 3.8 38
  53 0.5 5
  54 68.9 689
  55 54 540
  56 4.2 42
  57 2.9 29
  58 1.5 15
  64 1.2 12
  66 1.5 15
  67 0.2 2
  68 24.1 241
  69 18.5 185
  70 2.9 29
  71 0.16 2
  82 20.1 201
  83 1.5 15
  96 9.6 96
//

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