Dataset

N-alpha-(tert-Butoxycarbonyl)-L-histidine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01517 contains the MS2 mass spectrum of N-alpha-(tert-Butoxycarbonyl)-L-histidine with the InChIkey AYMLQYFMYHISQO-UHFFFAOYSA-N.

Chemical Info

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-BML01517
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:55.310338
MetadataModified 2024-01-11T22:28:55.468284
MetadataPublished 2016-01-19
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.