ACCESSION: MSBNK-Waters-WA001714
RECORD_TITLE: Cinchonine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Cinchonine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₂N₂O
CH$EXACT_MASS: 294.17321
CH$SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
CH$IUPAC: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
CH$LINK: CAS 118-10-5
CH$LINK: INCHIKEY KMPWYEUPVWOPIM-QAMTZSDWSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.770 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-05o3-0910000000-a2affb617cf39bd634ce
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  103 16 16
  105 129 129
  106 106 106
  107 94 94
  108 286 286
  109 59 59
  110 149 149
  111 16 16
  112 8 8
  115 74 74
  116 12 12
  117 31 31
  118 90 90
  119 31 31
  120 78 78
  121 27 27
  122 106 106
  123 16 16
  124 78 78
  125 8 8
  126 8 8
  128 133 133
  129 74 74
  130 999 999
  131 94 94
  132 102 102
  133 8 8
  134 204 204
  135 51 51
  136 86 86
  138 20 20
  142 404 404
  143 306 306
  144 243 243
  145 31 31
  146 31 31
  147 8 8
  148 12 12
  154 259 259
  155 94 94
  156 537 537
  157 98 98
  158 78 78
  159 114 114
  160 27 27
  166 121 121
  167 219 219
  168 478 478
  169 192 192
  170 106 106
  171 43 43
  172 121 121
  173 12 12
  179 8 8
  180 176 176
  181 129 129
  182 94 94
  183 137 137
  184 137 137
  185 24 24
  186 12 12
  191 16 16
  192 47 47
  193 51 51
  194 106 106
  195 59 59
  196 86 86
  197 63 63
  198 20 20
  204 47 47
  205 35 35
  206 71 71
  207 43 43
  208 51 51
  209 27 27
  210 24 24
  212 12 12
  214 8 8
  217 12 12
  218 55 55
  219 39 39
  220 47 47
  221 71 71
  222 59 59
  223 63 63
  224 16 16
  225 8 8
  230 8 8
  231 12 12
  232 24 24
  233 24 24
  234 71 71
  235 82 82
  236 51 51
  237 8 8
  238 8 8
  246 8 8
  247 12 12
  248 35 35
  249 16 16
  250 12 12
  252 12 12
  266 8 8
  275 8 8
  277 161 161
  278 39 39
  295 376 376
  296 78 78
  297 12 12
//