ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000795
RECORD_TITLE: 2-AMINO-3-METHYLIMIDAZO(4,5-F)QUINOLINE; 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$NAME: 2-AMINO-3-METHYLIMIDAZO(4,5-F)QUINOLINE
CH$NAME: IQ
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₄
CH$EXACT_MASS: 198.09055
CH$SMILES: Nc(n1)n(C)c(c2)c1c(c3)c(ncc3)c2
CH$IUPAC: InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
CH$LINK: INCHIKEY ARZWATDYIYAUTA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020745

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$SPLASH: splash10-0002-5900000000-bd580419edf086e639c1
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  40 3.96 40
  41 9.93 99
  42 4.97 50
  43 13.51 135
  44 2.96 30
  45 3.04 30
  50 5.43 54
  51 6.89 69
  52 4.16 42
  53 2.39 24
  54 2 20
  55 9.78 98
  56 3.27 33
  57 8.85 89
  58 1.66 17
  59 1.23 12
  60 2 20
  61 1.89 19
  62 3.5 35
  63 5.04 50
  64 4.23 42
  65 2.58 26
  66 1.96 20
  67 3.85 39
  68 2.19 22
  69 6.04 60
  70 3.89 39
  71 0.47 5
  72 4.39 44
  73 3.16 32
  74 3 30
  75 5.77 58
  76 6.47 65
  77 6.2 62
  78 4.35 44
  79 3.66 37
  80 1.04 10
  81 3.43 34
  82 2.54 25
  83 3.73 37
  84 2.5 25
  85 6.08 61
  86 3.12 31
  87 4.31 43
  88 3.93 39
  89 2.81 28
  90 1.62 16
  91 3.08 31
  92 1.08 11
  93 1.39 14
  95 2.5 25
  96 1.69 17
  97 2.58 26
  98 2.85 29
  99 12.59 126
  100 3.93 39
  101 6.31 63
  102 6.85 69
  103 5.5 55
  104 2.93 29
  105 1.92 19
  107 1.04 10
  109 1.35 14
  110 1.04 10
  111 1.46 15
  112 1.08 11
  113 1.58 16
  114 6.04 60
  115 3.39 34
  116 4.54 45
  117 1.77 18
  119 1.19 12
  123 1.04 10
  126 1.12 11
  127 2.31 23
  128 5.39 54
  129 14.59 146
  130 2.62 26
  131 1.58 16
  140 0.01 0
  141 3.7 37
  142 4.12 41
  143 3.85 39
  144 1.54 15
  149 1.96 20
  153 2.77 28
  154 3 30
  155 5.89 59
  156 21.98 220
  157 3.7 37
  168 1.19 12
  169 2.89 29
  170 19.52 195
  171 3.23 32
  179 1.15 12
  180 0.62 6
  181 2.96 30
  182 5.23 52
  183 26.71 267
  184 4.43 44
  194 1.08 11
  196 2.5 25
  197 40.49 405
  198 99.99 999
  199 13.36 134
  200 1.04 10
//