Spectrum MoNA010825 for 3-Hydroxyanthranilic acid

Rating: (*)★(*)★(*)★(*)☆( )☆

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
AIF
40
MS2
DDA
PMID 28641411
Agilent 6550 iFunnel
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
0.8939237730118497
0.8136844838096505
154.049880981445
[M+H]+
4.427803193548914 ppm
-6.821025549754722E-4 Da