Name | Value |
---|---|
InChI=1S/C12H16O7/c1-6-2-7(14)3-8(15)11(6)12(18)19-5-10(17)9(16)4-13/h2-3,9-10,13-17H,4-5H2,1H3 | |
C12H16O7 | |
272.089602852 | |
O=C(OCC(O)C(O)CO)C=1C(O)=CC(O)=CC1C | |
YTCVPMVUPQABQB-UHFFFAOYSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
272.091 | |
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 | |
2.057764376055597 | |
0.5742300826076129 | |
273.098 | |
[M+H]+ | |
1.564083222976404 ppm | |
4.2714800002841E-4 Da |