| SpectraBase Spectrum ID |
99Jg9LZEaHG |
| Name |
Narceine artifact (+ME) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [100.00-440.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C23H26NO7/c1-24(2)9-8-14-10-20-23(31-13-30-20)22(29-5)16(14)11-18(26)15-6-7-19(27-3)21(28-4)17(15)12-25/h6-7,10H,8-9,11,13H2,1-5H3/q+1 |
| InChIKey |
CTWNBISWYHAJNV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C1=C(C(CC=2C(=C3OCOC3=CC2CCN(C)C)OC)=O)C=CC(=C1OC)OC)=O |
| 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 |
