Name | Value |
---|---|
C16H22O7 | |
326.136553044 | |
O=C(OC1C=CC(O)C(OC(=O)C)CCC(=O)OC1C)C=CC | |
InChI=1S/C16H22O7/c1-4-5-15(19)23-13-7-6-12(18)14(22-11(3)17)8-9-16(20)21-10(13)2/h4-7,10,12-14,18H,8-9H2,1-3H3/b5-4+,7-6? | |
GXBAKQFLYWSOJH-DBYMJTHYSA-N |
Name | Value |
---|---|
MS2 | |
C16H22O7 | |
326.136553 | |
3.974906284 | |
2.2893707752227783 | |
hcd_lib.msp | |
positive | |
2.2893706612714277 | |
0.8080473946920682 | |
344.170376 | |
[M+NH4]+ | |
13.821770645449057 ppm | |
-0.004757044000029964 Da |