ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001642
RECORD_TITLE: ACRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: ACRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₉N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
CH$LINK: CAS 260-94-6
CH$LINK: INCHIKEY DZBUGLKDJFMEHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059766

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-004i-7900000000-0fc3d679263288777328
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  32 2.93 29
  38 2.04 20
  39 7.62 76
  43 1.03 10
  44 3.19 32
  50 8.53 85
  51 8.4 84
  52 2.42 24
  61 1.59 16
  62 5.34 53
  63 14.7 147
  64 2 20
  74 5.65 57
  75 15.6 156
  76 18.36 184
  77 4.26 43
  86 1.48 15
  87 2.37 24
  88 3.06 31
  89 36.04 360
  90 6.49 65
  98 1.39 14
  99 1.91 19
  100 1.66 17
  101 1.92 19
  102 1.5 15
  113 1.52 15
  125 2.3 23
  126 3.59 36
  127 2.15 22
  128 1.2 12
  140 1.11 11
  150 4.87 49
  151 11.89 119
  152 9.77 98
  153 4.8 48
  176 1.42 14
  177 7.04 70
  178 24.07 241
  179 99.99 999
  180 14.87 149
  181 1.07 11
//