Spectrum FiehnHILIC000169 for Albendazole

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
HXHWSAZORRCQMX-UHFFFAOYSA-N
C12H15N3O2S
265.08849771999996
OC(=NC1=NC=2C=CC(SCCC)=CC2N1)OC
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

Mass Spectral Metadata

NameValue
136
M + 0
1.22065
positive
HCD (NCE 20-30-40%)
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)
0.8722989173958342
0.30179471378130285
266.0953
[M+H]+
4.3883525938088805 ppm
-0.0011677199999553523 Da