| SpectraBase Spectrum ID |
6FjkwUxd5qP |
| Name |
Narcein |
| CAS Registry Number |
131-28-2 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
445.173666825 u |
| Formula |
C23H27NO8 |
| InChI |
InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27) |
| InChIKey |
DEXMFYZAHXMZNM-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
445.468 g/mol |
| Nominal Mass |
445 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
446.181 |
| SMILES |
OC(=O)C1=C(C(=O)CC=2C(CCN(C)C)=CC=3OCOC3C2OC)C=CC(OC)=C1OC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_615.2 |
