| SpectraBase Spectrum ID |
8HjtokbI8Oh |
| Name |
Benzoylecgonine-M (HO-ring) isomer 2 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6-8H,2-3,5H2,1H3/p+1/t6-,7+,8-/m1/s1 |
| InChIKey |
QTWZATUNWUAKTF-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC([C@@]1([C@@]2(N([C@](C[CH+]1)(CC2)[H])C)[H])[H])=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
