| SpectraBase Spectrum ID |
7pdQuYYxYG0 |
| Name |
Rocuronium artifact (N-dealkyl-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-460.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C27H45N2O3/c1-4-5-10-28-22-16-21-19-7-6-18-15-24(30)23(29-11-13-32-14-12-29)17-27(18,3)20(19)8-9-26(21,2)25(22)31/h18-21,23-25,30-31H,1,4-17H2,2-3H3/q+1/b28-22- |
| InChIKey |
HRIHFUROTQAVSH-SLMZUGIISA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1C2(CCC3C4(CC(C(CC4CCC3C2C\C1=N/CCC[CH2+])O)N1CCOCC1)C)C |
| 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 |
ms3 |
| Technique |
ITMS |
