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5-Hydroxytryptophan ME2TFA
SpectraBase Compound ID CWPjnXcYVhf
InChI InChI=1S/C16H12F6N2O5/c1-28-12(25)11(24-13(26)15(17,18)19)4-7-6-23-10-3-2-8(5-9(7)10)29-14(27)16(20,21)22/h2-3,5-6,11,23H,4H2,1H3,(H,24,26)
InChIKey NTNVGLNZISFPHS-UHFFFAOYSA-N
Mol Weight 426.27 g/mol
Molecular Formula C16H12F6N2O5
Exact Mass 426.06504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mvD4WON3fF
Name 5-Hydroxytryptophan ME2TFA
Classification Biomolecule
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Exact Mass 426.065040467 u
Formula C16H12N2O5F6
InChI InChI=1S/C16H12F6N2O5/c1-28-12(25)11(24-13(26)15(17,18)19)4-7-6-23-10-3-2-8(5-9(7)10)29-14(27)16(20,21)22/h2-3,5-6,11,23H,4H2,1H3,(H,24,26)
InChIKey NTNVGLNZISFPHS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 426.271 g/mol
SMILES c1(ccc2[nH]cc(CC(C(OC)=O)NC(C(F)(F)F)=O)c2c1)OC(=O)C(F)(F)F
SPLASH splash10-0006-3391000000-c71a8dadda880302295f
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_10841