SpectraBase Spectrum ID |
CZ9QZ8pXiTt |
Name |
Rocuronium-M (glucuronide) MS3_1 |
Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-500.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
InChI |
InChI=1S/C30H51N2O3/c1-5-7-13-31(12-6-2)25-19-24-22-9-8-21-18-27(33)26(32-14-16-35-17-15-32)20-30(21,4)23(22)10-11-29(24,3)28(25)34/h6,21-28,33-34H,1-2,5,7-20H2,3-4H3/q+1 |
InChIKey |
QDFCIEWKXVLOAP-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
OC1C2(CCC3C4(CC(C(CC4CCC3C2CC1N(CCC[CH2+])CC=C)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: Metabolite |
Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
Spectrum Type |
ms3 |
Technique |
ITMS |