SpectraBase Spectrum ID |
GARSQdwNHuy |
Name |
Tolperisone-M (dihydro-carboxylic acid) |
Collision Gas |
N2 |
Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-305.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C16H25NO3 |
InChI |
InChI=1S/C16H25NO3/c1-12-6-8-14(9-7-12)16(20)13(2)11-17-10-4-3-5-15(18)19/h6-9,13,16-17,20H,3-5,10-11H2,1-2H3,(H,18,19) |
InChIKey |
AFHYABXPAUHCMG-UHFFFAOYSA-N |
Inlet Type |
UHPLC |
Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
Ion Polarity |
P |
Ionization Type |
HESI |
Precursor Ion |
[M+H]+ |
SMILES |
N(CC(C(C1=CC=C(C=C1)C)O)C)CCCCC(O)=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 |