| SpectraBase Spectrum ID |
C7bAY6im73b |
| Name |
Ondansetron-M (N-oxide) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-335.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H19N3O2 |
| InChI |
InChI=1S/C18H20N3O2/c1-12-20(9-10-21(12)23)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)19(16)2/h3-6,9-10,13,23H,7-8,11H2,1-2H3/q+1 |
| InChIKey |
KCEMHVGZJUHNBT-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
O[N+]=1C=CN(CC2C(=O)C=3C=4C(=CC=CC4)N(C3CC2)C)C1C |
| 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 |
