| SpectraBase Spectrum ID |
KF6dSDoo5rX |
| Name |
Verapamil-M (bis-O-demethyl-) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-455.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H34N2O4 |
| InChI |
InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)24(16-20)31-5)12-6-13-27(3)14-11-19-7-10-23(30-4)22(29)15-19/h7-10,15-16,18,28-29H,6,11-14H2,1-5H3 |
| InChIKey |
XXGJFJLJYXJACN-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC=1C=C(CCN(CCCC(C2=CC(=C(C=C2)O)OC)(C(C)C)C#N)C)C=CC1OC |
| 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 |
