| SpectraBase Spectrum ID |
LQNsGXlSvnk |
| Name |
Benzoylecgonine-M (HO-ring) isomer 1 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/p+1/t5-,6+,7?,8?/m1/s1 |
| InChIKey |
PHMBVCPLDPDESM-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1C(C(O)=O)[C@]2(N([C@@](C1)(CC2)[H])C)[H] |
| 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 |
