Spectrum KO009052 for Minocycline

Rating: (*)★(*)★(*)★(*)★(*)☆

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
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
DYKFCLLONBREIL-KVUCHLLUSA-N
C23H27N3O7
457.18490020400003
O=C1C=2C(O)=CC=C(C2CC3C1=C(O)C4(O)C(=O)C(C(=N)O)=C(O)C(N(C)C)C4C3)N(C)C

Mass Spectral Metadata

NameValue
KO009052
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
457.1849
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.60/0.80
LC/MSD Trap Control and Data Analysis
positive
458/441
[M+H]+
3.7867488132178404
0.6654674179397084
441.0
[M+H]+
38986.10023582773 ppm
-17.19287020400003 Da