| SpectraBase Spectrum ID |
9zQqYhxA5A |
| Name |
Atazanavir-M (dealkyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-380.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H30N4O4/c1-18(2,3)15(21-17(25)26-4)16(24)22-20-11-14(23)13(19)10-12-8-6-5-7-9-12/h5-9,13-15,20,23H,10-11,19H2,1-4H3,(H,21,25)(H,22,24)/p+1 |
| InChIKey |
QTTFAYMIMXQEBN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C(CNNC(C(NC(OC)=O)C(C)(C)C)=O)O)CC1=CC=CC=C1 |
| 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 |
