MassBank Record: WA002272



 Noscapine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002272
RECORD_TITLE: Noscapine; 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: 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0093000000-fccbfba3444eaa2ddf34 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 179 71 71 205 55 55 206 51 51 218 12 12 220 999 999 221 110 110 222 12 12 248 16 16 295 16 16 307 12 12 308 12 12 322 16 16 323 59 59 324 20 20 325 27 27 334 12 12 335 12 12 338 16 16 350 31 31 353 176 176 354 35 35 355 12 12 365 43 43 366 16 16 381 12 12 396 12 12 414 118 118 415 20 20 //