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IKGHIFGXPVLPFD-UHFFFAOYSA-N
SpectraBase Compound ID 6WTBfSIhLfe
InChI InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)
InChIKey IKGHIFGXPVLPFD-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE1vO5fWLj8
Name Phenylalanine MEAC
CAS Registry Number 3618-96-0
Classification Biomolecule
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 221.105193344 u
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)
InChIKey IKGHIFGXPVLPFD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 221.256 g/mol
SMILES C(Cc1ccccc1)(C(OC)=O)NC(C)=O
SPLASH splash10-03dr-8900000000-3d397df02e0f62a90253
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2581