Spectrum CCMSLIB00005463613 for INDOLE-3-METHYL 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
1912-33-0
na
InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
C11H11NO2
189.078978592
O=C(OC)CC1=CNC=2C=CC=CC21
KTHADMDGDNYQRX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
ESI
Commercial
Orbitrap
189.079
1
MSV000084072/peak/positive/GNPS00001_C5_p.mzXML
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
positive
0.5630935645128187
0.17282899936868168
190.086
[M+H]+
4.990330692350265 ppm
-9.485919999860926E-4 Da