MassBank Record: MSBNK-Waters-WA002272
ACCESSION: MSBNK-Waters-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: CC BY-NC
CH$NAME: Noscapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H23NO7
CH$EXACT_MASS: 413.14745
CH$SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
CH$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$LINK: CAS
128-62-1
CH$LINK: INCHIKEY
AKNNEGZIBPJZJG-MSOLQXFVSA-N
CH$LINK: COMPTOX
DTXSID4023385
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.08 min
AC$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: splash10-00di-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
//