Name | Value |
---|---|
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3 | |
C15H22O | |
218.167065324 | |
O=C1C(=C2CC(C(=C)C)CCC2(C)CC1)C | |
KUFXJZXMWHNCEH-UHFFFAOYSA-N |
External Identifier | Value |
---|---|
273568 |
Name | Value |
---|---|
NA001627 | |
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 | |
218.1671 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
70 % (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 | |
13.102 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 | |
3.0523631778531803 | |
0.8391177676139979 | |
219.1743 | |
[M+H]+ | |
3.354973644283621 ppm | |
-7.353240000043115E-4 Da |