| SpectraBase Spectrum ID |
60WdoEaPtA |
| Name |
Indeloxazine-M (1,2-indandiol-N-acetyl-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H18NO3/c16-11-6-10-2-1-3-14(13(10)7-11)18-9-12-8-15-4-5-17-12/h1-3,6,11-12,15-16H,4-5,7-9H2/q+1 |
| InChIKey |
VJGTUSZDHLBXIB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCOC(COC2=C3CC([CH+]C3=CC=C2)O)C1 |
| 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 |
