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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 CPi7HeiAH7b
Name Artifact of roasted food iso-1 @
Classification Impurity Vasoconstrictor
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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