| SpectraBase Spectrum ID |
BEASZKx3cYW |
| Name |
5-APB-M (ring cleavage-COOH-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H11O2 |
| InChI |
InChI=1S/C11H10O2/c1-2-3-9-4-5-11(13)10(8-9)6-7-12/h2,4-6,8H,3H2,1H3/p+1 |
| InChIKey |
KHBSUNSHUGAORW-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(=CC1C=C=O)C[CH+]C |
| 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 |
