| SpectraBase Spectrum ID |
6pzCIHBj5U |
| Name |
Dihydroergotamine MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H19N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-4,7,10,12,14,18H,5-6,8H2,1H3,(H2,17,20)/p+1 |
| InChIKey |
OEVHDXFBOKGRLN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C(C1CN(C2C(C1)C1=CC=CC3=C1C(C2)=CN3)C)[OH2+] |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
