ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000786
RECORD_TITLE: 1-METHYL-9H-PYRIDO(3,4-B)INDOLE; 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$NAME: 1-METHYL-9H-PYRIDO(3,4-B)INDOLE
CH$NAME: HARMAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂
CH$EXACT_MASS: 182.08440
CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23
CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80197568

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$SPLASH: splash10-001i-4900000000-2caa4dc9ec4e3750fe94
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  41 3.75 38
  42 2.34 23
  43 3.91 39
  44 6.41 64
  45 1.72 17
  50 3.59 36
  51 5 50
  52 0.25 3
  53 1.09 11
  54 1.09 11
  55 2.81 28
  56 1.72 17
  63 8.75 88
  64 4.69 47
  65 2.03 20
  67 1.09 11
  69 1.87 19
  70 1.72 17
  71 1.72 17
  73 1.25 13
  74 3.28 33
  75 4.69 47
  76 5.31 53
  77 14.53 145
  78 4.84 48
  79 1.09 11
  81 1.25 13
  83 1.25 13
  84 1.09 11
  85 1.56 16
  86 2.03 20
  87 2.97 30
  88 3.75 38
  89 2.5 25
  90 4.37 44
  91 16.56 166
  97 1.09 11
  98 1.25 13
  99 1.41 14
  100 1.72 17
  101 3.75 38
  102 2.5 25
  103 1.41 14
  111 1.09 11
  112 1.25 13
  113 5.94 59
  114 5.62 56
  115 4.37 44
  116 1.25 13
  125 1.72 17
  126 4.53 45
  127 13.59 136
  128 8.28 83
  129 3.28 33
  130 2.34 23
  138 1.09 11
  139 2.34 23
  140 7.19 72
  141 2.66 27
  142 1.09 11
  143 1.09 11
  149 1.72 17
  152 2.66 27
  153 4.06 41
  154 27.97 280
  155 10.78 108
  156 1.87 19
  166 1.25 13
  167 1.25 13
  170 2.66 27
  179 2.97 30
  180 2.34 23
  181 31.88 319
  182 99.99 999
  183 11.72 117
  184 1.09 11
//