Name | Value |
---|---|
InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ | |
YAADMLWHGMUGQL-VOTSOKGWSA-N | |
C11H11NO3 | |
205.07389321199997 | |
O=C(O)CN=C(O)C=CC=1C=CC=CC1 |
Name | Value |
---|---|
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
1.337547 minutes | |
10 | |
Ipputa Tada, Hiroshi Tsugawa, Isabel Meister, Pei Zhang, Rie Shu, Riho Katsumi, Craig E. Wheelock, Masanori Arita, Romanas Chaleckis | |
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) | |
1.1190687572143205 | |
0.5750875793302164 | |
206.081161499023 | |
[M+H]+ | |
3.4050321332526337 ppm | |
-7.017129769621988E-4 Da |