Name | Value |
---|---|
InChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10) | |
BPSNETAIJADFTO-UHFFFAOYSA-N | |
C7H7NO2 | |
137.047678464 | |
O=C(O)CC1=NC=CC=C1 |
Name | Value |
---|---|
4.674103 minutes | |
30 | |
Ipputa Tada, Hiroshi Tsugawa, Isabel Meister, Pei Zhang, Rie Shu, Riho Katsumi, Craig E. Wheelock, Masanori Arita, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
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 | |
KI GIAR zic-HILIC Pos v0.92.msp.txt | |
DDA QTOF | |
DI (direct infusion) | |
1.425234240091837 | |
0.7954383747199459 | |
138.054962158203 | |
[M+H]+ | |
4.971250480681786 ppm | |
-6.863057969894726E-4 Da |