ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011102
RECORD_TITLE: 3,4-DIAMINOPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,4-DIAMINOPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇N₃
CH$EXACT_MASS: 109.06400
CH$SMILES: Nc(c1)c(N)cnc1
CH$IUPAC: InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
CH$LINK: CAS 54-96-6
CH$LINK: INCHIKEY OYTKINVCDFNREN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046715

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$SPLASH: splash10-0a4i-9500000000-a63c0bd9a1bb53b616fd
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  18 2.05 21
  26 2.71 27
  27 3.79 38
  28 22.55 226
  29 3.05 31
  30 1.92 19
  37 1.19 12
  38 4.79 48
  39 4.18 42
  40 5.81 58
  41 10.31 103
  42 5.02 50
  43 1.65 17
  51 1.94 19
  52 12.06 121
  53 7.56 76
  54 21.19 212
  55 13.46 135
  56 4.72 47
  64 2.65 27
  65 6.85 69
  66 3.05 31
  67 2.27 23
  68 1.45 15
  69 3.55 36
  80 1.05 11
  81 15.24 152
  82 14.17 142
  92 1.39 14
  93 1.25 13
  108 4.8 48
  109 99.99 999
  110 6.99 70
//