Processed databases
Atom-Mass pairs
Outputs for Isethionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001231
Synonyms: Isethionate, 2-Hydroxyethanesulfonic acid, Isethionic acid, 2-Hydroxyethane-1-sulfonic acid, 2-Hydroxyethanesulfonate
Total mass: 126.1314
Formula: H6 C2 S1 O4
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 123.5,
Processing time: 0:00:01.158736
Queried mass list: ['34.700', '79.800', '88.800', '94.700', '107.000', '123.000', '125.100']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 34.7 | No match found! | No match found! |
| 79.8 (link to fragments) | 1 | 1 |
| 88.8 | No match found! | No match found! |
| 94.7 (link to fragments) | 1 | 1 |
| 107.0 (link to fragments) | 1 | 4 |
| 123.0 (link to fragments) | 1 | 1 |
| 125.1 (link to fragments) | 1 | 1 |