| SpectraBase Spectrum ID |
59XVM9Fxp22 |
| Name |
Melitracene-M (di-HO-) isomer 1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H18O2/c1-4-7-12-13-8-5-6-9-15(13)19(2,3)16-11-18(21)17(20)10-14(12)16/h5-11H,1,4H2,2-3H3,(H-,20,21)/p+1/b12-7- |
| InChIKey |
LQKQVNUGFQPCAQ-GHXNOFRVSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=2C(C3=CC=CC=C3\C(C2C=C1O)=C/C[CH2+])(C)C |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
