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Butyrylcarnitine MS3_1
SpectraBase Compound ID 4WfD1TQ6xn5
InChI InChI=1S/C8H12O4/c1-3-4-8(11)12-6(2)5-7(9)10/h6H,2-5H2,1H3/p+1
InChIKey MCPQRMRTGXGYPR-UHFFFAOYSA-O
Mol Weight 173.19 g/mol
Molecular Formula C8H13O4
Exact Mass 173.081384 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JXFB7l1hOJ9
Name Butyrylcarnitine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C8H12O4/c1-3-4-8(11)12-6(2)5-7(9)10/h6H,2-5H2,1H3/p+1
InChIKey MCPQRMRTGXGYPR-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(CC([CH2+])OC(CCC)=O)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS