Name | Value |
---|---|
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1 | |
AFHJQYHRLPMKHU-OSYMLPPYSA-N | |
C21H22O9 | |
418.126382284 | |
O=C1C=2C(O)=CC=CC2C(C3=CC(=CC(O)=C13)CO)C4OC(CO)C(O)C(O)C4O |
External Identifier | Value |
---|---|
1415-73-2 | |
2991 | |
C10305 | |
12305761 | |
24534069 |
Name | Value |
---|---|
NA001285 | |
2019.07.31 | |
Tobias Schulze, Vaidotas Kisielius, Xiaomeng Liang, Mulatu Yohannes Nanusha, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |
CC BY | |
Copyright (C) 2019 | |
418.1264 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
55 % (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 | |
9.511 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 2.12.0 | |
positive | |
1.3581568699667752 | |
0.6979545641540148 | |
419.1337 | |
[M+H]+ | |
1.556267129108456 ppm | |
-6.522840000116048E-4 Da |