Name | Value |
---|---|
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1 | |
FRQMUZJSZHZSGN-HBNHAYAOSA-N | |
C22H32O3 | |
344.23514488399996 | |
O=C1C=C2C(C)CC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1 |
External Identifier | Value |
---|---|
520-85-4 | |
6715 | |
D08166 | |
LMST02030176 | |
10631 | |
10185 |
Name | Value |
---|---|
AU239506 | |
2019.05.31 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
344.2351449 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
Ramp 22.5-33.8 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 | |
10.703 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 2.10.1 | |
positive | |
3.6143166488477947 | |
0.7617214643056532 | |
345.2424 | |
[M+H]+ | |
2.0706726635835553 ppm | |
-7.148839999899792E-4 Da |