ACCESSION: MSBNK-Waters-WA001715
RECORD_TITLE: Cinchonine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0002-0960000000-3f9298172408de6359ee
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  105 55 55
  106 31 31
  107 67 67
  108 110 110
  109 39 39
  110 153 153
  111 8 8
  112 8 8
  117 16 16
  118 16 16
  119 12 12
  120 24 24
  121 8 8
  122 74 74
  123 12 12
  124 55 55
  128 8 8
  129 8 8
  130 345 345
  131 39 39
  132 63 63
  134 157 157
  135 59 59
  136 63 63
  137 8 8
  138 16 16
  142 114 114
  143 106 106
  144 129 129
  145 12 12
  146 20 20
  148 8 8
  154 110 110
  155 35 35
  156 227 227
  157 35 35
  158 31 31
  159 31 31
  160 12 12
  166 74 74
  167 55 55
  168 227 227
  169 98 98
  170 39 39
  171 27 27
  172 63 63
  173 8 8
  180 78 78
  181 47 47
  182 39 39
  183 55 55
  184 43 43
  185 12 12
  192 12 12
  193 12 12
  194 43 43
  195 24 24
  196 47 47
  197 67 67
  198 16 16
  199 8 8
  204 16 16
  205 20 20
  206 39 39
  207 16 16
  208 27 27
  209 20 20
  210 24 24
  212 8 8
  217 8 8
  218 20 20
  219 27 27
  220 24 24
  221 31 31
  222 47 47
  223 63 63
  224 31 31
  232 12 12
  233 12 12
  234 78 78
  235 71 71
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  238 8 8
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  247 8 8
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  249 20 20
  250 8 8
  252 16 16
  266 8 8
  267 8 8
  275 8 8
  277 396 396
  278 78 78
  279 12 12
  295 999 999
  296 215 215
  297 27 27
  329 8 8
//