Spectrum KO002043 for Anthranilate

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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/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
RWZYAGGXGHYGMB-UHFFFAOYSA-N
C7H7NO2
137.047678464
O=C(O)C=1C=CC=CC1N

Mass Spectral Metadata

NameValue
KO002043
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID A010
137.04768
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
1.7640552339893065
0.5550740573189633
138
[M+H]+
403.2497391304405 ppm
-0.055648464000000786 Da