Spectrum FiehnHILIC002139 for N-Benzyloxycarbonylglycine

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  • Originally submitted to the Fiehn Lab HILIC Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
CJUMAFVKTCBCJK-UHFFFAOYSA-N
C10H11NO4
209.06880783199998
O=C(O)CN=C(O)OCC=1C=CC=CC1
InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

Mass Spectral Metadata

NameValue
M + 0
15 eV
7.394233
positive
869
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.6761097490663344
0.9354546622200657
210.0746
[M+H]+
10.366945837205298 ppm
-0.002177831999972568 Da