Spectrum MoNA016639 for 3,5-DIIODO-L-THYRONINE

Rating: (*)★(*)★(*)★(*)★( )☆

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
ZHSOTLOTTDYIIK-ZDUSSCGKSA-N
C15H13I2NO4
524.893403896
O=C(O)C(N)CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1
InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1

Mass Spectral Metadata

NameValue
C15H13I2NO4
-1
2.765817
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.7919285358948824
0.6986214096906409
525.8959
[M+H]+
10.408706361871705 ppm
-0.005473896000012246 Da