Spectrum FiehnHILIC000424 for Hydroxyproline

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
PMMYEEVYMWASQN-DMTCNVIQSA-N
C5H9NO3
131.058243148
O=C(O)C1NCC(O)C1
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
positive
1611
HCD (NCE 20-30-40%)
8.143884
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)
1.2960248972632333
0.5404843622510493
132.0663
[M+H]+
0.6576393827167495 ppm
8.685200000968507E-5 Da