ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001637
RECORD_TITLE: 2-METHYLQUINOLINE; 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$NAME: 2-METHYLQUINOLINE
CH$NAME: QUINALDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉N
CH$EXACT_MASS: 143.07350
CH$SMILES: Cc(c1)nc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
CH$LINK: CAS 91-63-4
CH$LINK: INCHIKEY SMUQFGGVLNAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3040271

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$SPLASH: splash10-0f9f-9500000000-d8165793af7b5d745a0f
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  37 10.8 108
  38 22.05 221
  39 47.12 471
  40 8.44 84
  41 6.17 62
  42 10.94 109
  43 1.28 13
  44 1.12 11
  45 2.45 25
  49 5.68 57
  50 38.91 389
  51 40.64 406
  52 15.01 150
  53 2.89 29
  57 4.7 47
  58 11.55 116
  59 1.26 13
  60 1.14 11
  61 7.69 77
  62 17.32 173
  63 16.81 168
  64 7.46 75
  65 5.16 52
  66 1.12 11
  70 2.68 27
  71 6.64 66
  72 3.46 35
  73 2.57 26
  74 15.99 160
  75 25.93 259
  76 19.45 195
  77 15.01 150
  78 3.04 30
  85 1.19 12
  86 2.87 29
  87 4.98 50
  88 4.18 42
  89 12.74 127
  90 6.1 61
  91 2.08 21
  98 1.49 15
  99 1.3 13
  100 1.94 19
  101 12.65 127
  102 8.09 81
  103 2.4 24
  104 1.12 11
  113 2.4 24
  114 3.69 37
  115 27.5 275
  116 12.76 128
  117 7.08 71
  127 2.1 21
  128 20.5 205
  129 6.19 62
  135 3.27 33
  140 2.87 29
  141 2.64 26
  142 19.52 195
  143 99.99 999
  144 12.2 122
//