Spectrum MoNA016830 for AC-ASN-OH

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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
HXFOXFJUNFFYMO-BYPYZUCNSA-N
C6H10N2O4
174.0640568
O=C(O)C(N=C(O)C)CC(=N)O
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1

Mass Spectral Metadata

NameValue
C6H10N2O4
-1
0.7598833
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
0.7250523747504092
0.45050036981783664
197.0514
[M+Na]+
12.31556842526851 ppm
-0.002426799999994955 Da