Spectrum FiehnHILIC000718 for Pyridoxal-5-phosphate

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
NGVDGCNFYWLIFO-UHFFFAOYSA-N
C8H10NO6P
247.02457367
O=CC1=C(O)C(=NC=C1COP(=O)(O)O)C
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

Mass Spectral Metadata

NameValue
M + 0
7.7044
positive
HCD (NCE 20-30-40%)
1422
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)
1.3144557053829857
0.4740896819060595
248.0319
[M+H]+
2.5951097418844338 ppm
-6.436699999881057E-4 Da