Name | Value |
---|---|
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 | |
OMFXVFTZEKFJBZ-HJTSIMOOSA-N | |
C21H30O4 | |
346.21440944 | |
O=C1C=C2CCC3C4CCC(C(=O)CO)C4(C)CC(O)C3C2(C)CC1 |
External Identifier | Value |
---|---|
50-22-6 | |
16827 | |
C02140 | |
LMST02030186 | |
5753 | |
5550 |
Name | Value |
---|---|
AU218301 | |
2016.02.21 | |
Nikiforos Alygizakis, Reza Aalizadeh, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
346.2144094 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
8.650 min | |
90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate | |
methanol with 0.01% formic acid and 5mM ammonium formate | |
identity on assigned fragments and MS1 | |
RMassBank 1.99.10 | |
positive | |
0.7720055405685751 | |
0.39673236759845404 | |
347.2217 | |
[M+H]+ | |
1.956790143009427 ppm | |
-6.794399999989764E-4 Da |