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5-Hydroxytryptophan ME2HFB
SpectraBase Compound ID 20p4T7OBQlA
InChI InChI=1S/C20H12F14N2O5/c1-40-12(37)11(36-13(38)15(21,22)17(25,26)19(29,30)31)4-7-6-35-10-3-2-8(5-9(7)10)41-14(39)16(23,24)18(27,28)20(32,33)34/h2-3,5-6,11,35H,4H2,1H3,(H,36,38)
InChIKey CKINAJUYNRVBNT-UHFFFAOYSA-N
Mol Weight 626.3 g/mol
Molecular Formula C20H12F14N2O5
Exact Mass 626.052266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbMFpfkMix2
Name 5-Hydroxytryptophan ME2HFB
Classification Biomolecule
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Exact Mass 626.052265771 u
Formula C20H12N2O5F14
InChI InChI=1S/C20H12F14N2O5/c1-40-12(37)11(36-13(38)15(21,22)17(25,26)19(29,30)31)4-7-6-35-10-3-2-8(5-9(7)10)41-14(39)16(23,24)18(27,28)20(32,33)34/h2-3,5-6,11,35H,4H2,1H3,(H,36,38)
InChIKey CKINAJUYNRVBNT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 626.303 g/mol
SMILES c1(cc2c(cc1)[nH]cc2CC(NC(C(F)(F)C(F)(F)C(F)(F)F)=O)C(=O)OC)OC(=O)C(C(F)(F)C(F)(F)F)(F)F
SPLASH splash10-0006-2319100000-f4d9bd6249b3041f746b
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_10842