| SpectraBase Spectrum ID |
FkxrEteRF5X |
| Name |
Predicentrine MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-290.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H15O3/c1-4-11-6-8-15(19)18-13(11)7-5-12-9-16(20-2)17(21-3)10-14(12)18/h4-10H,1H2,2-3H3/q+1/b11-4- |
| InChIKey |
BBSUTNITOSNEKM-WCIBSUBMSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1(=O)C=2C3=CC(=C(C=C3C=CC2\C(=C/[CH2+])C=C1)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
