| SpectraBase Spectrum ID |
LA3BtecZlDJ |
| Name |
Etomidate MS2 |
| CAS Registry Number |
33125-97-2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 |
| InChIKey |
NPUKDXXFDDZOKR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1N(C(C=2C=CC=CC2)C)C(C(=O)OCC)=CN1 |
| 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 |
ms2 |
| Technique |
ITMS |
