| SpectraBase Spectrum ID |
6Z5GehXjFB1 |
| Name |
Amiodarone-M (N-dealky-HOOC-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-680.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H23I2NO5 |
| InChI |
InChI=1S/C23H23I2NO5/c1-2-3-7-19-21(15-6-4-5-8-18(15)31-19)22(29)14-11-16(24)23(17(25)12-14)30-10-9-26-13-20(27)28/h4-6,8,11-12,26H,2-3,7,9-10,13H2,1H3,(H,27,28) |
| InChIKey |
PCAHQKPMJHXXMB-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N(CCOC1=C(C=C(C(C2=C(CCCC)OC=3C2=CC=CC3)=O)C=C1I)I)CC(=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 |
