Spectrum MoNA016644 for 5-HIAA

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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
DUUGKQCEGZLZNO-UHFFFAOYSA-N
C10H9NO3
191.058243148
O=C(O)CC1=CNC=2C=CC(O)=CC21
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)

Mass Spectral Metadata

NameValue
C10H9NO3
-1
2.012167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
3.311502464906963
0.8380911684424913
192.0704
[M+H]+
21.798528039737942 ppm
0.004186852000003682 Da