| SpectraBase Spectrum ID |
2SeCAb7GJT1 |
| Name |
alpha-PBP-M (dihydro-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H15N |
| InChI |
InChI=1S/C12H15N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-3,6-8,11H,4-5,9-10H2/b11-8- |
| InChIKey |
OMRYFORMTXHEKG-FLIBITNWSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1(C=CC=CC1)\C=C/N1CCCC1 |
| 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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
