Spectrum CCMSLIB00005720857 for 3-METHYL-2-OXINDOLE

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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
1504-06-9
InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)
C9H9NO
147.068413908
OC1=NC=2C=CC=CC2C1C
BBZCPUCZKLTAJQ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
147.068
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.5785047165013752
0.5981320294892956
146.061
[M-H]-
0.944180855938565 ppm
-1.3790799999924275E-4 Da