Spectrum PT106520 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
Thiazole
143.21
C6H9NOS
143.040484908
OCCC=1SC=NC1C
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
BKAWJIRCKVUVED-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT106520
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
1.2104172629874534
0.8731314913591957
144.04828
[M+H]+
1.214231783892816 ppm
-1.7490799999109186E-4 Da