Spectrum CCMSLIB00005463567 for 5-HYDROXYINDOLEACETATE

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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
54-16-0
na
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
C10H9NO3
191.05824314799997
O=C(O)CC1=CNC=2C=CC(O)=CC21
DUUGKQCEGZLZNO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
191.058
1
MSV000084072/peak/positive/GNPS00001_E8_p.mzXML
MS2
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
positive
3.024615398978658
0.9646375310191301
214.047
[M+Na]+
4.733296892598297 ppm
-0.0010131479999699877 Da