Name | Value |
---|---|
Natural Product | |
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | |
OUYCCCASQSFEME-QMMMGPOBSA-N | |
C9H11NO3 | |
181.07389321199997 | |
O=C(O)C(N)CC1=CC=C(O)C=C1 |
Name | Value |
---|---|
KNA00574 | |
2016.01.19 (Created 2009.11.18, modified 2011.08.03) | |
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST | |
CC BY-SA | |
181.07389 | |
LTQ Orbitrap XL, Thermo Scientfic | |
LC-ESI-ITFT | |
MS2 | |
35eV | |
ESI | |
TOSOH TSKgel ODS-100V 5um Part no. 21456 | |
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) | |
0.5 ml/min | |
9.375730 min | |
0.1%formate-water / 0.1%formate-acetonitrile | |
negative | |
0.16582658975151082 | |
0.23923719868203328 | |
361.14 | |
[2M-H]- | |
1.4133687765675063 ppm | |
-5.104239999695892E-4 Da |