Name | Value |
---|---|
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ | |
PLVPPLCLBIEYEA-AATRIKPKSA-N | |
C11H9NO2 | |
187.063328528 | |
O=C(O)C=CC1=CNC=2C=CC=CC12 |
Name | Value |
---|---|
1.299096 | |
30 | |
C11H9NO2 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
AIF | |
Merck SeQuant ZIC HILIC (2.1 x 100 mm, 3.5 µm particle size) with Merck SeQuant ZIC HILIC Guard column (2.1 mm x 2 mm, 3.5 µm particle size) | |
5/95 at 0-1.5 min, 60/40 at 12-14 min, 75/25 at 14.2-17 min; 5/95 at 18-25 min | |
0.3ml/min | |
water with 0.1% formic acid (pH2.7) | |
acetonitrile with 0.1% formic acid | |
POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
positive | |
2.759362331064986 | |
0.7961836702086531 | |
170.060043334961 | |
[M+H-H2O]+ | |
24.01979254443595 ppm | |
0.004084806961003551 Da |