Name | Value |
---|---|
416.329 | |
C27H44O3 | |
416.32904526799996 | |
OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1 | |
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 | |
GMBQZIIUCVWOCD-UQHLGXRBSA-N |
External Identifier | Value |
---|---|
126-18-1 | |
C08913 | |
91439 |
Name | Value |
---|---|
PS089503 | |
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN | |
Copyright(C) 2008 Plant Science Center, RIKEN | |
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183 | |
TQD, Waters | |
Flow-injection QqQ/MS | |
ESI | |
Q | |
Q | |
LOW-ENERGY CID | |
30 | |
Q | |
CENTROID | |
[M+H]+ | |
MS2 | |
positive | |
1.6029453651716423 | |
0.6961503268864372 | |
417.58 | |
[M+H]+ | |
581.887858613978 ppm | |
0.2429847320000249 Da |