ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001297
RECORD_TITLE: ORTHO-PHENYLENEDIAMINE; 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$NAME: ORTHO-PHENYLENEDIAMINE
CH$NAME: ORTHO-DIAMINOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂
CH$EXACT_MASS: 108.06875
CH$SMILES: Nc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
CH$LINK: INCHIKEY GEYOCULIXLDCMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025881

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$SPLASH: splash10-0a59-9500000000-526ad16a86063d1951a6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 2.43 24
  28 5 50
  38 1.53 15
  39 3.34 33
  40 1.04 10
  41 2.71 27
  42 1.11 11
  43 1.04 10
  50 2.29 23
  51 4.38 44
  52 8.48 85
  53 13.76 138
  54 8.41 84
  63 5.56 56
  64 6.46 65
  65 4.45 45
  66 2.78 28
  67 3.68 37
  78 2.92 29
  79 2.71 27
  80 78.46 785
  81 37.25 373
  82 2.71 27
  90 1.6 16
  91 5.7 57
  92 1.04 10
  107 22.93 229
  108 99.99 999
  109 7.23 72
//