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 | |
3.993394226 | |
2.3829352855682373 | |
hcd_lib.msp | |
positive | |
2.38293529415421 | |
0.8244390319841397 | |
327.1438295 | |
[M+H]+ | |
2.11999719224616 ppm | |
-6.935440000006565E-4 Da |