SpectraBase Spectrum ID |
Eh6LCBYiL7N |
Name |
Milnaciprane-M (dealkyl-) |
Collision Gas |
N2 |
Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-240.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C13H18N2O |
InChI |
InChI=1S/C13H18N2O/c1-2-15-12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16) |
InChIKey |
UVKUMJGXPDEXSQ-UHFFFAOYSA-N |
Inlet Type |
UHPLC |
Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
Ion Polarity |
P |
Ionization Type |
HESI |
Precursor Ion |
[M+H]+ |
SMILES |
NCC1C(C(=O)NCC)(C2=CC=CC=C2)C1 |
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 |