Spectrum CCMSLIB00005464251 for INDOLE-3-ACETATE

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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
6505-45-9
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
C10H9NO2
175.063328528
O=C(O)CC1=CNC=2C=CC=CC21
SEOVTRFCIGRIMH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
175.063
1
MSV000084479/peak/mzXML/GNPS00005_E12_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.6159280330358079
0.17187799021404604
176.071
[M+H]+
1.6954978389504916 ppm
-2.98528000001852E-4 Da