ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010792
RECORD_TITLE: ORTHO-PHENYLENEDIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-PHENYLENEDIAMINE
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-7900000000-b90823665900ff559f6d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40 2.08 21
  42 2.62 26
  50 3.34 33
  51 4.88 49
  52 8.74 87
  53 9.93 99
  54 10.77 108
  63 2.47 25
  64 4.28 43
  65 2.5 25
  66 1.16 12
  67 1.93 19
  75 1.16 12
  76 2.22 22
  77 10.13 101
  78 3.19 32
  79 3.27 33
  80 30.72 307
  81 9.71 97
  90 1.36 14
  91 2.92 29
  104 4.58 46
  105 3.54 35
  106 3.56 36
  107 19.22 192
  108 99.99 999
  109 7.33 73
//