| SpectraBase Spectrum ID |
6etRGlr43Zj |
| Name |
Paynantheine-M (16-HOOC-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-410.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H26N2O4 |
| InChI |
InChI=1S/C22H26N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)28-3)23-21(14)18(24)10-15(13)16(12-27-2)22(25)26/h4-7,12,15,18,23H,8-11H2,1-3H3,(H,25,26)/b13-4+,16-12+ |
| InChIKey |
ZCYXUOASMONDFF-XJSYFCSPSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N1C2=C(CCN3C\C(C(\C(C(=O)O)=C\OC)CC23)=C\C)C2=C(C=CC=C12)OC |
| 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 |
