Name | Value |
---|---|
TWBYWOBDOCUKOW-UHFFFAOYSA-N | |
C6H5NO2 | |
123.0320284 | |
O=C(O)C=1C=CN=CC1 | |
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) |
Name | Value |
---|---|
MS2 | |
LC-ESI-QTOF | |
Agilent qTOF 6545 | |
C6H5NO2 | |
positive | |
10 eV | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_qTOF_MS2_Spectra.msp | |
0.36848602823009163 | |
0.33541043735895354 | |
124.0393044 | |
[M+H]+ | |
5.59500074071484 ppm | |
-6.939999999957536E-4 Da |