Spectrum CCMSLIB00000081575 for Beclometasone

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
4419-39-0
InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
C22H29ClO5
408.170351708
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32Cl)C
NBMKJKDGKREAPL-DVTGEIKXSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
408.17
1
gnps_Beclometasone_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Norberto Lopes
negative
1.7817092433719512
0.6579306552909445
407.163
[M-H]-
0.18594027452671552 ppm
-7.570799999712108E-5 Da