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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009533

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-JP009533
RECORD_TITLE: PARA-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-TOLUIDINE
CH$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$LINK: CAS 106-49-0
CH$LINK: INCHIKEY RZXMPPFPUUCRFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021872

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-0900000000-26d49344f064be566137
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  52 1.26 13
  53 1.32 13
  77 5.1 51
  78 1.7 17
  79 4.37 44
  80 2.15 22
  91 1.12 11
  104 1.09 11
  106 73.1 731
  107 99.99 999
  108 8.36 84
//

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