Name | Value |
---|---|
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12) | |
ZXZKYYHTWHJHFT-UHFFFAOYSA-N | |
C9H7NO2 | |
161.047678464 | |
OC=1N=C2C(O)=CC=CC2=CC1 |
Name | Value |
---|---|
1.45 | |
20 | |
C9H7NO2 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
[M-H]- | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
negative | |
1.151738883784159 | |
0.4803124210007999 | |
160.040405273438 | |
0.017554554404869416 ppm | |
2.8094380013499176E-6 Da |