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Remifentanil-M (O-demethyl-) MS3_1
SpectraBase Compound ID Km61QMo5Gz0
InChI InChI=1S/C18H22N2O4/c1-2-16(22)20(15-7-4-3-5-8-15)18(17(23)24)9-12-19(13-10-18)11-6-14-21/h3-5,7-8H,2,6,9-13H2,1H3/p+1
InChIKey REYVWYRIXGFPKW-UHFFFAOYSA-O
Mol Weight 331.39 g/mol
Molecular Formula C18H23N2O4
Exact Mass 331.165782 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7poInFCc8AP
Name Remifentanil-M (O-demethyl-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-345.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C18H22N2O4/c1-2-16(22)20(15-7-4-3-5-8-15)18(17(23)24)9-12-19(13-10-18)11-6-14-21/h3-5,7-8H,2,6,9-13H2,1H3/p+1
InChIKey REYVWYRIXGFPKW-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C1(CCN(CC[C+]=O)CC1)N(C(CC)=O)C1=CC=CC=C1)=O
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