| SpectraBase Spectrum ID |
K5tWo27hEXB |
| Name |
5-MAPB-M (ring cleavage-COOH) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-245.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC(CC=1C=C(CC(C)NC)C=CC1O)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
