Spectrum CCMSLIB00005720819 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
86
O=C(O)C=1C=CC=C(O)C1N
548-93-6
InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
C7H7NO3
153.04259308399998
WJXSWCUQABXPFS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
153.043
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.4455091749082922
0.6578795767252608
152.035
[M-H]-
2.0855987107455465 ppm
-3.1708399998819914E-4 Da