MassBank Record: WA002274



 Noscapine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002274
RECORD_TITLE: Noscapine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Noscapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H23NO7 CH$EXACT_MASS: 413.14745 CH$SMILES: COc(c5)c(OC)c(C(=O)4)c(c5)C([H])(O4)C([H])(N(C)3)c(c(CC3)1)c(OC)c(O2)c(OC2)c1 CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 CH$LINK: CAS 128-62-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.08 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ab9-0391000000-5ef17eb94f1f2072478c PK$NUM_PEAK: 154 PK$PEAK: m/z int. rel.int. 103 35 35 104 31 31 105 27 27 106 31 31 107 27 27 115 12 12 117 12 12 118 86 86 119 94 94 120 59 59 121 133 133 122 24 24 130 39 39 131 39 39 132 31 31 133 55 55 134 31 31 135 31 31 136 12 12 145 12 12 146 39 39 147 118 118 148 106 106 149 59 59 150 12 12 151 20 20 158 16 16 159 24 24 160 39 39 161 27 27 162 35 35 163 35 35 164 20 20 165 86 86 166 20 20 167 12 12 174 51 51 175 59 59 176 82 82 177 106 106 178 43 43 179 78 78 180 12 12 181 43 43 183 12 12 188 78 78 189 59 59 190 31 31 191 180 180 192 35 35 193 74 74 194 31 31 195 43 43 196 20 20 203 67 67 204 98 98 205 999 999 206 333 333 207 67 67 208 27 27 209 78 78 210 20 20 211 27 27 217 20 20 218 94 94 219 55 55 220 928 928 221 168 168 222 63 63 223 71 71 224 55 55 225 24 24 232 20 20 233 55 55 234 90 90 235 86 86 236 47 47 237 149 149 238 39 39 239 55 55 246 20 20 247 55 55 248 51 51 249 121 121 250 71 71 251 129 129 252 98 98 253 43 43 254 27 27 255 16 16 259 12 12 261 47 47 262 86 86 263 106 106 264 94 94 265 251 251 266 63 63 267 94 94 268 20 20 269 24 24 274 20 20 275 31 31 276 31 31 277 110 110 278 47 47 279 129 129 280 247 247 281 106 106 282 39 39 283 16 16 289 39 39 290 35 35 291 63 63 292 59 59 293 98 98 294 43 43 295 251 251 296 51 51 297 39 39 298 12 12 302 12 12 303 12 12 304 12 12 305 55 55 306 59 59 307 157 157 308 74 74 309 71 71 310 86 86 311 24 24 312 20 20 319 31 31 320 27 27 321 35 35 322 67 67 323 168 168 324 39 39 325 63 63 326 12 12 333 12 12 334 24 24 335 35 35 336 16 16 337 43 43 338 63 63 339 16 16 350 39 39 351 20 20 352 24 24 353 74 74 354 20 20 365 12 12 366 35 35 414 12 12 //