| SpectraBase Spectrum ID |
qNpV7KfjAi |
| Name |
Sumatriptan MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H15N2O2S/c1-3-10-7-14-12-5-4-9(6-11(10)12)8-17(15,16)13-2/h4-7,13-14H,1,3,8H2,2H3/q+1 |
| InChIKey |
MQHCRQVPZRABHS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(S(CC1=CC=C2C(C(=CN2)C[CH2+])=C1)(=O)=O)C |
| 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 |
