| SpectraBase Spectrum ID |
Ku5Zr4fMEBX |
| Name |
KM-X1-M (HO-) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H16NO |
| InChI |
InChI=1S/C14H16NO/c1-2-3-6-9-15-10-12(11-16)13-7-4-5-8-14(13)15/h4-5,7-8,10H,2-3,6,9H2,1H3/q+1 |
| InChIKey |
HIYGHZUKADJBQK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1C2=C(C=CC1)N(C=C2[C+]=O)CCCCC |
| 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 |
