Spectrum KO003346 for 4-Methyl-5-thiazoleethanol

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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
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
BKAWJIRCKVUVED-UHFFFAOYSA-N
C6H9NOS
143.040484908
OCCC=1SC=NC1C

Mass Spectral Metadata

NameValue
KO003346
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M013
143.04048
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
2.406277177607995
0.6397631350610228
144
[M+H]+
336.4924166666425 ppm
-0.04845490799999652 Da