Name | Value |
---|---|
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1 | |
LPEPZZAVFJPLNZ-SFHVURJKSA-N | |
C20H20O5 | |
340.13107374000003 | |
O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)CC=C(C)C |
External Identifier | Value |
---|---|
53846-50-7 | |
50207 | |
C18023 | |
480764 | |
421848 |
Name | Value |
---|---|
NA002448 | |
2020.02.21 | |
Tobias Schulze, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC0 | |
Copyright (C) 2020 by Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
340.1311 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
30% (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50 x 2.1 mm | |
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5/0 at 32 min | |
300 uL/min | |
11.919 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 2.14.1 | |
positive | |
1.3755921011869363 | |
0.6615199675561407 | |
341.1384 | |
[M+H]+ | |
1.8870347051039564 ppm | |
-6.437400000436355E-4 Da |