Dataset

Oxitriptan 1; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01223 contains the MS2 mass spectrum of Oxitriptan 1 with the InChIkey LDCYZAJDBXYCGN-VIFPVBQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
SMILES C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
InChI Key LDCYZAJDBXYCGN-VIFPVBQESA-N
Molecular Formula C11H12N2O3
Exact Mass 220.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01223
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.