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Tolperisone-M (HOOC-ring cleavage) MS2
SpectraBase Compound ID 1A17pNgqJp9
InChI InChI=1S/C16H23NO3/c1-12-6-8-14(9-7-12)16(20)13(2)11-17-10-4-3-5-15(18)19/h6-9,13,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKey FQJOXRHUGDMWBF-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID K5whBt5x1Qu
Name Tolperisone-M (HOOC-ring cleavage)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-300.00]
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Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-12-6-8-14(9-7-12)16(20)13(2)11-17-10-4-3-5-15(18)19/h6-9,13,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKey FQJOXRHUGDMWBF-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CCCCC(O)=O)CC(C)C(C1=CC=C(C)C=C1)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD