ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003984
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$NAME: PARA-TOLUIDINE
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-1900000000-a549cda849a42a691c16
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  39 5.5 55
  51 5.1 51
  52 5.9 59
  53 0.75 8
  54 5 50
  79 12 120
  106 99.99 999
  107 64.5 645
//