| SpectraBase Spectrum ID |
9A4XDzOdBA |
| Name |
5-MAPB-M (ring cleavage-COOH-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 224.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-8(13-2)5-9-3-4-11(14)10(6-9)7-12(15)16/h3-4,6,8,13-14H,5,7H2,1-2H3,(H,15,16) |
| InChIKey |
RQOSAOPIBOTPGG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC=1C=C(CC(C)NC)C=CC1O)=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 |
