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Cyclo-L-prolyl-L-phenylalanine
SpectraBase Compound ID 1LY6PxmtnjB
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
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4aMFaairuW
Name Cyclo (Phe-Pro)
CAS Registry Number 14705-60-3
Classification Chemical
Comments 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 981
Retention Index 2019
SMILES C1(C(N2C(C(N1)=O)CCC2)=O)CC1=CC=CC=C1
SPLASH splash10-0096-8920000000-415f75171a828ad2fa46
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_000832