| SpectraBase Spectrum ID |
GWakTSYLTkm |
| Name |
Cyclo (Phe-Pro) |
| CAS Registry Number |
14705-60-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
| Nominal Mass |
244 u |
| Quality |
871 |
| Retention Index |
2019 |
| SMILES |
C1(C(N2C(C(N1)=O)CCC2)=O)CC1=CC=CC=C1 |
| SPLASH |
splash10-00bc-9810000000-693c3d9c88afc74a949f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Amino acid condensation product
Dihydroergotamine-A
Ergotamine-A
3-(Phenylmethyl)hexahydro-pyrrolo[1,2-A]pyrazine-1,4-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009339 |
