ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011914
RECORD_TITLE: QUINIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: QUINIDINE
CH$NAME: CONQUININE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₄N₂O₂
CH$EXACT_MASS: 324.18378
CH$SMILES: COc(c4)cc(c3c4)c(ccn3)C(O)C(C1)N(C2)CC(C=C)C([H])(C2)1
CH$IUPAC: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m1/s1
CH$LINK: CAS 56-54-2
CH$LINK: NIKKAJI J4.570E
CH$LINK: INCHIKEY LOUPRKONTZGTKE-VPCNSNALSA-N

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-000i-4902000000-d605b00c00597674d277
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  18 1.85 19
  27 2.85 29
  28 2.96 30
  29 2.91 29
  30 1.43 14
  39 4.29 43
  41 12.22 122
  42 12.09 121
  43 1.93 19
  44 2.52 25
  51 1.45 15
  53 6.44 64
  54 3.6 36
  55 11.31 113
  56 4.58 46
  57 1.21 12
  63 1.97 20
  65 2.13 21
  66 1.31 13
  67 4.44 44
  68 3.04 30
  69 2.43 24
  70 2.21 22
  77 4.43 44
  78 1.2 12
  79 8.09 81
  80 4.66 47
  81 18.79 188
  82 9.76 98
  83 1.54 15
  88 1.23 12
  89 3.72 37
  90 2.95 30
  91 2.3 23
  93 1.77 18
  94 3.88 39
  95 6.26 63
  96 1.91 19
  101 1.62 16
  102 1.55 16
  103 1.11 11
  105 1.21 12
  106 1.14 11
  107 1.25 13
  108 5.08 51
  109 2.15 22
  110 2.44 24
  111 1.51 15
  115 2.13 21
  116 5.79 58
  117 9.68 97
  118 1.57 16
  122 2.66 27
  123 1.29 13
  124 2.55 26
  126 1.85 19
  128 2.42 24
  129 2.53 25
  130 2.39 24
  134 1.6 16
  135 1.06 11
  136 99.99 999
  137 14.37 144
  138 7.59 76
  139 2.09 21
  140 1.1 11
  141 1.01 10
  142 1.09 11
  143 1.33 13
  144 1.74 17
  145 5.5 55
  146 1.51 15
  152 1.59 16
  154 2.14 21
  155 1.26 13
  158 5.81 58
  159 5.57 56
  160 8 80
  161 1.01 10
  166 1.98 20
  167 1.32 13
  168 1.06 11
  169 1.3 13
  170 1.61 16
  172 7.96 80
  173 16.59 166
  174 6.78 68
  182 1.53 15
  183 1.46 15
  184 2.33 23
  185 1.39 14
  186 4.63 46
  187 3.77 38
  188 6.73 67
  189 24.43 244
  190 3.15 32
  196 1.04 10
  197 1.05 11
  198 2.34 23
  199 1.92 19
  200 2.45 25
  201 3.38 34
  202 1.74 17
  212 1.13 11
  213 1.25 13
  214 2.66 27
  215 1.5 15
  240 1.07 11
  267 1.03 10
  269 1.41 14
  283 6.85 69
  284 1.36 14
  295 1.68 17
  297 1.29 13
  307 2.01 20
  309 5.8 58
  310 1.27 13
  311 1.08 11
  323 2.81 28
  324 48.34 483
  325 11.48 115
  326 5.26 53
  327 1.01 10
//