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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002293

PARA-TOLUIDINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002293
RECORD_TITLE: PARA-TOLUIDINE; 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$NAME: PARA-TOLUIDINE
CH$NAME: 4-METHYLANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
CH$LINK: INCHIKEY RZXMPPFPUUCRFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021872

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-3900000000-c7694241f19d9db54a68
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42 1.03 10
  50 2.24 22
  51 5.17 52
  52 5.35 54
  53 6.9 69
  54 4.18 42
  62 1.02 10
  63 2.21 22
  65 2.37 24
  66 1.34 13
  77 13.71 137
  78 4.75 48
  79 9.53 95
  80 3.15 32
  89 1.67 17
  90 1.12 11
  91 2.08 21
  104 2.87 29
  105 1.68 17
  106 99.99 999
  107 72.67 727
  108 6.04 60
//

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