Name | Value |
---|---|
WPYMKLBDIGXBTP-UHFFFAOYSA-N | |
C7H6O2 | |
122.036779432 | |
O=C(O)C=1C=CC=CC1 | |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
Name | Value |
---|---|
M + 0 | |
1.183883 | |
130 | |
positive | |
HCD (NCE 20-30-40%) | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
1.0879394670428093 | |
0.424156314773994 | |
123.0442 | |
[M+H]+ | |
4.465322217542015 ppm | |
-5.494319999996833E-4 Da |