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Tyramine 2HFB
SpectraBase Compound ID A8Oonk4QiXt
InChI InChI=1S/C16H9F14NO3/c17-11(18,13(21,22)15(25,26)27)9(32)31-6-5-7-1-3-8(4-2-7)34-10(33)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2,(H,31,32)
InChIKey IWESMRLDYXNPDI-UHFFFAOYSA-N
Mol Weight 529.23 g/mol
Molecular Formula C16H9F14NO3
Exact Mass 529.035887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UzYuvlQ1L7
Name Tyramine 2HFB
CAS Registry Number 55521-08-9
Classification Biomolecule
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Exact Mass 529.035887433 u
Formula C16H9NO3F14
InChI InChI=1S/C16H9F14NO3/c17-11(18,13(21,22)15(25,26)27)9(32)31-6-5-7-1-3-8(4-2-7)34-10(33)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2,(H,31,32)
InChIKey IWESMRLDYXNPDI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 529.230 g/mol
SMILES c1c(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc(c1)OC(C(F)(F)C(F)(F)C(F)(F)F)=O
SPLASH splash10-014i-8829000000-0bfa053970b8d065d091
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+UHYHPB
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_8541