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DL-Tryptophan
SpectraBase Compound ID BE1jhdZsKZM
InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChIKey QIVBCDIJIAJPQS-UHFFFAOYSA-N
Mol Weight 204.23 g/mol
Molecular Formula C11H12N2O2
Exact Mass 204.089878 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9OE1bkf5qns
Name Tryptophan
CAS Registry Number 73-22-3
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-225.00]
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Formula C11H12N2O2
InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChIKey QIVBCDIJIAJPQS-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C2=C(C(CC(C(O)=O)N)=C1)C=CC=C2
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD