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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001333

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-JP001333
RECORD_TITLE: PARA-TOLUIDINE; 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$NAME: PARA-TOLUIDINE
CH$NAME: PARA-AMINOTOLUENE
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-3900000000-d9561648fdef3fb110a3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  28 3.11 31
  30 1.01 10
  38 1.15 12
  39 4.26 43
  41 1.62 16
  50 2.43 24
  51 4.8 48
  52 4.93 49
  52.5 1.89 19
  53 5.81 58
  53.5 3.11 31
  54 2.09 21
  63 2.16 22
  65 2.16 22
  66 1.22 12
  77 14.05 141
  78 4.26 43
  79 9.46 95
  80 2.77 28
  89 1.35 14
  91 2.03 20
  104 2.64 26
  105 1.82 18
  106 99.99 999
  107 72.43 724
  108 5.34 53
//

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