Name | Value |
---|---|
RGHHSNMVTDWUBI-UHFFFAOYSA-N | |
C7H6O2 | |
122.036779432 | |
O=CC1=CC=C(O)C=C1 | |
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C7H6O2 | |
positive | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
0.9512835682101815 | |
0.5309214682816905 | |
123.0440554 | |
[M+H]+ | |
5.6405162991596365 ppm | |
-6.940319999984013E-4 Da |