| SpectraBase Spectrum ID |
DWaKOhavUH8 |
| Name |
Noscapine |
| CAS Registry Number |
128-62-1 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
413.147452078 u |
| Formula |
C22H23NO7 |
| InChI |
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 |
| InChIKey |
AKNNEGZIBPJZJG-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
413.426 g/mol |
| Nominal Mass |
413 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
414.155 |
| SMILES |
C1(OC(C2=C1C=CC(=C2OC)OC)=O)C1N(CCC=2C1=C(OC)C=1OCOC1C2)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_664.7 |
![1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-](/api/spectrum/DWaKOhavUH8/structure.png?h=300&w=458 "1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-")
