Name | Value |
---|---|
InChI=1S/C11H16O5/c1-3-4-8(12)11(14)9-5-7(15-2)6-10(13)16-9/h5-6,8,11-12,14H,3-4H2,1-2H3/t8-,11+/m1/s1 | |
C11H16O5 | |
228.09977361199998 | |
O=C1OC(=CC(OC)=C1)C(O)C(O)CCC | |
IQQUGRMXXJTLNW-KCJUWKMLSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
228.099 | |
1 | |
20200308_MSV000080492_NIH_Part1_TOF_Pos_IIN_robin_exportMerged_0i04min_200noise_mergeMSMSsum.mgf | |
MS2 | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid | |
positive | |
2.6198505944934447 | |
0.7255359046849572 | |
246.132 | |
[M+NH4]+ | |
25.81383972815255 ppm | |
-0.006353611999969644 Da |