Name | Value |
---|---|
Natural Product; Polyketide | |
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 | |
RHMXXJGYXNZAPX-UHFFFAOYSA-N | |
C15H10O5 | |
270.05282342 | |
O=C1C=2C=C(O)C=C(O)C2C(=O)C3=C(O)C=C(C=C13)C |
Name | Value |
---|---|
FIO00063 | |
2016.01.19 (Created 2013.04.08) | |
Markus Kohlhoff, Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil) | |
CC BY-NC | |
(c) Research Center Rene Rachou (FIOCRUZ, Brazil) | |
[Raw Data] CB029_Emodin_neg_20eV_000008.txt | |
270.05282 | |
maXis (Bruker Daltonics) | |
LC-ESI-QTOF | |
MS2 | |
4500 V | |
20 eV | |
Nitrogen | |
8 l/min | |
200 C | |
CID | |
ESI | |
2.0 bar | |
Waters Atlantis C18 3um 2.1x150mm | |
RT | |
1-100% B in 10min | |
200ul/min | |
0.1% formic acid in water | |
methanol | |
negative | |
0.5423126672537617 | |
0.3911958978291343 | |
[M-H]- | |
269.04554742 | |
0.0 ppm | |
0.0 Da |