| SpectraBase Spectrum ID |
23Y8YxWLDHa |
| Name |
Cafedrine-M (demethyl-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H21N5O3 |
| InChI |
InChI=1S/C17H21N5O3/c1-11(14(23)12-6-4-3-5-7-12)18-8-9-22-10-19-15-13(22)16(24)21(2)17(25)20-15/h3-7,10-11,14,18,23H,8-9H2,1-2H3,(H,20,25) |
| InChIKey |
LOYCMICANDGSRK-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N1C2=C(N(CCNC(C(C=3C=CC=CC3)O)C)C=N2)C(=O)N(C1=O)C |
| 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 |
