| SpectraBase Spectrum ID |
IQaAorg7uCZ |
| Name |
MBDB-M (demethylenyl-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-220.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-3-9(12-2)6-8-4-5-10(13)11(14)7-8/h4-5,7,9,12-14H,3,6H2,1-2H3 |
| InChIKey |
VDJBHSSFCFZNAW-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC=1C=C(C=CC1O)CC(CC)NC |
| 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 |
