Spectrum FiehnHILIC000106 for 4-Methyl-5-thiazoleethanol

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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

Mass Spectral Metadata

NameValue
M + 0
1.213667
positive
HCD (NCE 20-30-40%)
138
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.8246503924398565
0.3318637311829044
144.0478
[M+H]+
4.5464630490805265 ppm
-6.549080000013419E-4 Da