ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000789
RECORD_TITLE: PHENANTHRIDINE; 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$NAME: PHENANTHRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₉N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)c(c2)c(ccc2)n1
CH$IUPAC: InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
CH$LINK: INCHIKEY RDOWQLZANAYVLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3074288

AC$INSTRUMENT: VARIAN MAT-44S
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-3900000000-9e822de9fe24cc4297f7
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  40 2.4 24
  50 5.44 54
  51 5.54 55
  52 1.71 17
  61 1.62 16
  62 4.65 47
  63 12.49 125
  74 5.29 53
  75 11.56 116
  76 20.28 203
  77 1.81 18
  86 1.86 19
  87 2.79 28
  88 1.62 16
  89 6.03 60
  98 2.01 20
  99 2.45 25
  100 1.57 16
  101 1.57 16
  102 1.67 17
  113 1.27 13
  125 2.45 25
  126 4.16 42
  127 1.81 18
  128 1.13 11
  140 1.08 11
  149 1.57 16
  150 8.87 89
  151 17.2 172
  152 12.59 126
  153 6.03 60
  176 1.81 18
  177 7.59 76
  178 23.96 240
  179 99.99 999
  180 16.02 160
  181 1.37 14
//