Spectrum FiehnHILIC002214 for Oxytetracycline

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
IWVCMVBTMGNXQD-PXOLEDIWSA-N
C22H24N2O9
460.148180348
O=C1C=2C(O)=CC=CC2C(O)(C)C3C1=C(O)C4(O)C(=O)C(C(=N)O)=C(O)C(N(C)C)C4C3O
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
652
15 eV
positive
35 eV
5.949183
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.434254657085309
0.6846740783138814
461.1499
[M+H]+
13.553831411392427 ppm
-0.006250347999980477 Da