ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005040
RECORD_TITLE: 2,2'-BIQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2,2'-BIQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12N2
CH$EXACT_MASS: 256.10005
CH$SMILES: c(c4)cc(c3)c(c4)nc(c3)c(c1)nc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
CH$LINK: INCHIKEY WPTCSQBWLUUYDV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059500
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4390000000-9c7612709c427996967a
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  17 3.4 34
  18 10.9 109
  26 1.7 17
  27 0.47 5
  29 3.8 38
  31 1.1 11
  39 3.9 39
  40 0.14 1
  41 8.4 84
  42 2.9 29
  43 7.8 78
  45 0.15 2
  50 1.9 19
  51 3 30
  52 1.3 13
  53 0.16 2
  54 2.1 21
  55 8.2 82
  56 3 30
  57 0.5 5
  59 1 10
  60 3.1 31
  63 2 20
  64 0.1 1
  67 3.3 33
  68 2.1 21
  69 4.3 43
  70 0.25 3
  71 2.7 27
  74 1.8 18
  75 4.6 46
  76 0.33 3
  77 5.4 54
  78 1.6 16
  79 1.9 19
  80 0.12 1
  81 2.8 28
  82 2 20
  83 2.3 23
  84 0.2 2
  85 2 20
  87 1.5 15
  89 1.2 12
  91 0.22 2
  93 1.3 13
  94 1.3 13
  95 2.9 29
  96 0.16 2
  97 2.7 27
  98 2.9 29
  99 1.4 14
  99.5 0.1 1
  100 2.4 24
  100.5 1.1 11
  101 9.3 93
  101.5 0.1 1
  102 6 60
  103 1.7 17
  105 1.2 12
  107 0.13 1
  109 1.4 14
  110 1 10
  111 1.7 17
  112 0.12 1
  113 1.6 16
  113.5 1.2 12
  114 2.9 29
  114.5 0.1 1
  115 1.8 18
  123 1.1 11
  125 1.1 11
  126 0.17 2
  127 4.3 43
  127.5 2.8 28
  128 20.5 205
  128.5 0.33 3
  129 4.3 43
  152 1.2 12
  153 1.1 11
  154 0.23 2
  155 2.9 29
  156 1.9 19
  157 1 10
  178 0.1 1
  179 1.1 11
  184 1.3 13
  198 3.7 37
  199 0.61 6
  200 8.5 85
  201 5.5 55
  202 10.9 109
  203 0.12 1
  204 3.2 32
  226 1.4 14
  227 3.7 37
  228 0.37 4
  229 2.4 24
  230 1.7 17
  251 1.1 11
  252 0.11 1
  253 4 40
  254 7.4 74
  255 64.7 647
  256 99.99 999
  257 19.3 193
  258 2.3 23
//
