| SpectraBase Spectrum ID |
DWgh5qXFgi7 |
| Name |
Zolmitriptan MS2 |
| CAS Registry Number |
139264-17-8 |
| Comments |
F: ITMS + c ESI d w Full ms2 288.27 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H21N3O2 |
| InChI |
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20) |
| InChIKey |
ULSDMUVEXKOYBU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(CC=2C=CC3=C(C2)C(=CN3)CCN(C)C)COC1=O |
| 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 |
ms2 |
| Technique |
ITMS |
