Spectrum CCMSLIB00000854607 for NCGC00381049-01_C10H11NO4_

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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
n/a
n/a
InChI=1S/C10H11NO4/c1-5-9(12)11-7-3-2-6(10(13)14)4-8(7)15-5/h2-3,6-8H,1,4H2,(H,11,12)(H,13,14)
C10H11NO4
209.068807832
O=C(O)C1C=CC2N=C(O)C(OC2C1)=C
WNMPQEGJLZLCFC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
209.069
1
positive
C12_RC12_01_7960.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.566099403637428
0.5731307493641136
210.076
[M+H]+
3.7026219083158387 ppm
-7.778320000113581E-4 Da