Spectrum CCMSLIB00005463670 for Nakijiquinone O

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/C25H37NO3/c1-15(2)14-26-19-12-20(27)23(29)18(22(19)28)13-25(6)17(4)10-11-24(5)16(3)8-7-9-21(24)25/h8,12,15,17,21,26,29H,7,9-11,13-14H2,1-6H3
C25H37NO3
399.277344044
O=C1C=C(NCC(C)C)C(=O)C(=C1O)CC2(C)C(C)CCC3(C(=CCCC32)C)C
FNCUIBSVSDQFCR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
399.277
1
f.mohantyipsita92/Individual mzXML files/S339W/SI-339W_400.2848_nakijiquinone O.mzXML;
MS2
GNPS-LIBRARY
mohantyipsita92, Ipsita Mohanty, Vinayak Agarwal
positive
1.883592632084944
0.8180338862681131
400.283
[M+H]+
5.781019928405686 ppm
-0.0023140440000020135 Da