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Octanoylcarnitine MS3_1
SpectraBase Compound ID 5KWUIS9Eli
InChI InChI=1S/C12H20O4/c1-3-4-5-6-7-8-12(15)16-10(2)9-11(13)14/h10H,2-9H2,1H3/p+1
InChIKey OMMLEABUWREVGB-UHFFFAOYSA-O
Mol Weight 229.3 g/mol
Molecular Formula C12H21O4
Exact Mass 229.143984 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3UN0iz2Bo99
Name Octanoylcarnitine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-240.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C12H20O4/c1-3-4-5-6-7-8-12(15)16-10(2)9-11(13)14/h10H,2-9H2,1H3/p+1
InChIKey OMMLEABUWREVGB-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(CC([CH2+])OC(CCCCCCC)=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