| SpectraBase Spectrum ID |
4oohfCJrG2b |
| Name |
Predicentrine-M (nor-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 328.13 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-22-14-8-11-6-13-17-10(4-5-20-13)7-16(24-3)19(21)18(17)12(11)9-15(14)23-2/h7-9,13,20-21H,4-6H2,1-3H3 |
| InChIKey |
MDUPNPFWUYFJQG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C2CCNC3CC=4C=C(C(=CC4C1=C23)OC)OC)OC |
| 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 |
ms2 |
| Technique |
ITMS |
