| SpectraBase Spectrum ID |
2p9tooy5DXN |
| Name |
Melitracene-M (nor-HO-glucuronide) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H18O/c1-4-7-14-15-8-5-6-9-17(15)19(2,3)18-11-10-13(20)12-16(14)18/h5-12H,1,4H2,2-3H3/p+1/b14-7- |
| InChIKey |
VCRZZQSTQMYABU-AUWJEWJLSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=2\C(=C/C[CH2+])C=3C(=CC=CC3)C(C2C=C1)(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 |
