Processed databases
Atom-Mass pairs
Outputs for Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EA065210
Synonyms: Sulfanilic acid, 4-aminobenzenesulfonic acid
Total mass: 173.1894
Formula: H7 C6 S1 O3 N1
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 79.0178, 93.0573, 94.0649, 110.0601,
Processing time: 0:00:01.860034
Results for the quried mass "96.0445"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5S1 | 0.106 | 4 | 1 | C1,C2,C4,C5,C6,S11 |
| C5S1 | 0.106 | 4 | 0 | C1,C2,C3,C4,C6,S11 |
| C5S1 | 0.106 | 4 | 1 | C1,C2,C3,C5,C6,S11 |
| C5S1 | 0.106 | 4 | 1 | C1,C3,C4,C5,C6,S11 |
| C5S1 | 0.106 | 4 | 1 | C2,C3,C4,C5,C6,S11 |
| C4S1N1 | 0.086 | 2 | 0 | C1,C3,C5,C6,N7,S11 |
| C4S1N1 | 0.086 | 2 | 0 | C2,C4,C5,C6,N7,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C4,C6,O8,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C4,C6,O9,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C4,C6,O10,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C5,C6,O8,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C5,C6,O9,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C1,C3,C5,C6,O10,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C3,C4,C6,O8,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C3,C4,C6,O9,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C3,C4,C6,O10,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C4,C5,C6,O8,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C4,C5,C6,O9,S11 |
| C4S1O1 | 0.063 | 0 | 0 | C2,C4,C5,C6,O10,S11 |