Spectrum MoNA023863 for 3-HYDROXYANTHRANILATE

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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
InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
WJXSWCUQABXPFS-UHFFFAOYSA-N
C7H7NO3
153.04259308399998
O=C(O)C=1C=CC=C(O)C1N

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C7H7NO3
153.0
153.04259
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
1.2772351480444384
0.34623932929552137
152.03529
[M-H]-
0.1781428507908546 ppm
-2.708399998141431E-5 Da