Processed databases
Atom-Mass pairs
Outputs for Isethionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001233
Synonyms: Isethionate, 2-Hydroxyethanesulfonic acid, Isethionic acid, 2-Hydroxyethane-1-sulfonic acid, 2-Hydroxyethanesulfonate
Total mass: 126.1314
Formula: H6 C2 S1 O4
Experimental information
MS type: MS2
Instrument: 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: 124.8,
Processing time: 0:00:01.519835
Results for the quried mass "95.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C1S1O3 | 0.202 | 3 | 0 | C2,O4,O5,O6,S7 |