MassBank Record: MSBNK-Waters-WA002271
ACCESSION: MSBNK-Waters-WA002271
RECORD_TITLE: Noscapine; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0229-0091500000-86df9f69796a03bd961c
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
179 39 39
205 20 20
206 12 12
220 999 999
221 106 106
222 12 12
353 90 90
354 16 16
365 35 35
396 16 16
414 588 588
415 110 110
416 16 16
//