SpectraBase Spectrum ID |
2wx2GAu6XA |
Name |
Nicergoline-M/artifact (HOOC-) ME @ |
Classification |
Vasodilator |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
214.958191435 u |
Formula |
C7H6BrNO2 |
InChI |
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 |
InChIKey |
AAJZXPWBILCHAW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
216.034 g/mol |
Related CAS Registry Number(s) |
27848-84-6 |
SMILES |
c1(C(=O)OC)cc(Br)cnc1 |
SPLASH |
splash10-05s0-5920000000-8e1dc0464a0dcd2d0e65 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: UME |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Synonyms |
5-Bromonicotinic acid ME |
Technique |
GC/MS |
Wiley ID |
MMPW6e_5250 |