Name | Value |
---|---|
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ | |
BWHOZHOGCMHOBV-BQYQJAHWSA-N | |
C10H10O | |
146.07316494 | |
O=C(C=CC=1C=CC=CC1)C |
External Identifier | Value |
---|---|
637759 |
Name | Value |
---|---|
146.0732 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
90 % (nominal) | |
15000 | |
NA001930 | |
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 | |
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 | |
9.431 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 | |
0.18359418522206136 | |
0.10246586574545041 | |
147.0804 | |
[M+H]+ | |
4.996858860874467 ppm | |
-7.349400000009609E-4 Da |