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-QTOF | |
Agilent qTOF 6545 | |
C7H6O2 | |
positive | |
40 eV | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_qTOF_MS2_Spectra.msp | |
1.3768504718317403 | |
0.5217205614977936 | |
123.0440554 | |
[M+H]+ | |
5.6405162991596365 ppm | |
-6.940319999984013E-4 Da |