| SpectraBase Spectrum ID |
KeYA8antTl5 |
| Name |
THJ-018-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 373.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H20N2O3 |
| InChI |
InChI=1S/C23H20N2O3/c26-21(27)14-5-6-15-25-20-13-4-3-11-19(20)22(24-25)23(28)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2,(H,26,27) |
| InChIKey |
XAOOYUZHRQLPHJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C=2C=CC=CC2C(=N1)C(=O)C1=C2C(=CC=C1)C=CC=C2)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
