| SpectraBase Spectrum ID |
CPi7HeiAH7b |
| Name |
Artifact of roasted food iso-1 @ |
| Classification |
Impurity
Vasoconstrictor |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
244.121177761 u |
| Formula |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17) |
| InChIKey |
QZBUWPVZSXDWSB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.294 g/mol |
| SMILES |
c1ccc(CC2C(N3C(C(N2)=O)CCC3)=O)cc1 |
| SPLASH |
splash10-004l-6920000000-2a8073c0e7cc0893722f |
| 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: U+UHYAC P-I |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Artifact of roasted food (cyclo (Phe-Pro)) isomer-1
Dihydroergotamine artifact-1 (cyclo (Phe-Pro)) isomer-1
Ergocristine artifact-1 (cyclo (Phe-Pro)) isomer-1
Ergotamine artifact-1 (cyclo (Phe-Pro)) isomer-1 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4495 |
