Name | Value |
---|---|
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | |
RJKFOVLPORLFTN-LEKSSAKUSA-N | |
C21H30O2 | |
314.2245802 | |
O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1 |
External Identifier | Value |
---|---|
57-83-0 | |
17026 | |
C00410 | |
LMST02030159 | |
5994 | |
5773 |
Name | Value |
---|---|
UF415101 | |
2017.01.05 | |
Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany | |
CC BY | |
Copyright (C) 2017 | |
314.2246 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
55 (nominal) | |
15000 | |
Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex | |
90/10 at 0 min, 80/20 at 3.2 min, 5/95 at 17.8 min, 5/95 at 37.8 min, 90/10 at 37.9 min, 90/10 at 47 min | |
200 uL/min | |
26.182 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.2.1 | |
positive | |
2.4946865677612364 | |
0.6044597376816409 | |
315.2319 | |
[M+H]+ | |
2.062608511370497 ppm | |
-6.501999999954933E-4 Da |