Dataset

N-alpha-(tert-Butoxycarbonyl)-L-histidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01464 contains the MS2 mass spectrum of N-alpha-(tert-Butoxycarbonyl)-L-histidine with the InChIkey AYMLQYFMYHISQO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
SMILES CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)O
InChI Key AYMLQYFMYHISQO-UHFFFAOYSA-N
Molecular Formula C11H17N3O4
Exact Mass 255.122 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-BML01464
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-9509965815 Mcule
    21962835 PubChem: Thomson Pharma
    1059642 eMolecules
    PD131076 ProbesDrugs
    16265172 PubChem: Thomson Pharma
    333506 PubChem
    181463 ChEBI
    SCHEMBL214303 SureChEMBL
    The data in this table is sourced from UniChem at EBI.