Processed databases
Atom-Mass pairs
Outputs for L-Glutathione (reduced form); LC-ESI-ITFT; MS2; m/z:307.08; NEG
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00521
Synonyms: Glutathione, 5-L-Glutamyl-L-cysteinylglycine, N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine, gamma-L-Glutamyl-L-cysteinyl-glycine, GSH, Reduced glutathione, L-Glutathione (reduced form)
Total mass: 307.3228
Formula: H17 C10 S1 O6 N3
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 126.964508, 129.065903, 144.058365, 144.887985, 160.9814, 168.164948, 178.061081, 180.136841, 185.093628, 186.04837, 211.068451, 243.19873, 255.092987, 263.027802, 273.152283, 289.000427,
Processing time: 0:00:04.103051
Results for the quried mass "125.74498"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13 |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13 |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13 |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C9,N12,N13 |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13 |
| C8N2 | 0.370 | 2 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N11,N13 |
| C5S1O1N1 | 0.411 | 4 | 0 | C1,C2,C4,C6,C7,N13,O14,S20 |
| C5S1O1N1 | 0.411 | 4 | 0 | C2,C4,C6,C7,C9,N13,O17,S20 |
| C5S1O1N1 | 0.411 | 4 | 0 | C2,C4,C6,C7,C9,N13,O14,S20 |
| C5S1O1N1 | 0.411 | 4 | 0 | C3,C4,C6,C8,C9,N12,O15,S20 |
| C5S1O1N1 | 0.411 | 4 | 0 | C3,C4,C6,C8,C9,N12,O16,S20 |
| C5S1O1N1 | 0.411 | 4 | 0 | C3,C4,C6,C8,C9,N12,O17,S20 |
| C6O1N2 | 0.411 | 10 | 2 | C1,C2,C3,C6,C7,C9,N12,N13,O17 |
| C6O1N2 | 0.411 | 10 | 2 | C1,C2,C3,C6,C7,C9,N12,N13,O14 |
| C6O1N2 | 0.411 | 10 | 1 | C1,C2,C5,C6,C7,C9,N11,N13,O17 |
| C6O1N2 | 0.411 | 10 | 0 | C1,C2,C4,C5,C6,C7,N11,N13,O14 |
| C6O1N2 | 0.411 | 10 | 2 | C1,C2,C4,C6,C7,C9,N12,N13,O17 |
| C6O1N2 | 0.411 | 10 | 2 | C1,C2,C4,C6,C7,C9,N12,N13,O14 |
| C6O1N2 | 0.411 | 10 | 1 | C1,C2,C5,C6,C7,C9,N11,N13,O14 |
| C6O1N2 | 0.411 | 10 | 2 | C1,C2,C5,C6,C7,C10,N11,N13,O18 |
| C6O1N2 | 0.411 | 10 | 1 | C1,C2,C5,C6,C7,C10,N11,N13,O19 |
| C6O1N2 | 0.411 | 10 | 1 | C1,C2,C5,C6,C7,C10,N11,N13,O14 |
| C6O1N2 | 0.411 | 10 | 2 | C2,C3,C4,C6,C7,C9,N12,N13,O17 |
| C6O1N2 | 0.411 | 10 | 2 | C2,C3,C4,C6,C7,C9,N12,N13,O14 |
| C5O2N2 | 0.368 | 6 | 0 | C1,C2,C6,C7,C9,N12,N13,O14,O17 |
| C5O2N2 | 0.368 | 6 | 0 | C1,C2,C5,C7,C10,N11,N13,O14,O18 |
| C5O2N2 | 0.368 | 6 | 0 | C1,C2,C5,C7,C10,N11,N13,O18,O19 |
| C5O2N2 | 0.368 | 6 | 0 | C1,C2,C5,C7,C10,N11,N13,O14,O19 |
| C5O2N2 | 0.368 | 6 | 0 | C2,C3,C6,C7,C9,N12,N13,O14,O17 |
| C5O2N2 | 0.368 | 6 | 0 | C2,C4,C6,C7,C9,N12,N13,O14,O17 |
| C5O2N2 | 0.368 | 6 | 2 | C3,C6,C7,C8,C9,N12,N13,O14,O15 |
| C5O2N2 | 0.368 | 6 | 1 | C3,C6,C7,C8,C9,N12,N13,O14,O16 |
| C5O2N2 | 0.368 | 6 | 0 | C3,C4,C6,C7,C9,N12,N13,O14,O17 |
| C5O2N2 | 0.368 | 6 | 1 | C3,C6,C7,C8,C9,N12,N13,O14,O17 |
| C5O2N2 | 0.368 | 6 | 2 | C3,C6,C7,C8,C9,N12,N13,O15,O16 |
| C5O2N2 | 0.368 | 6 | 2 | C3,C6,C7,C8,C9,N12,N13,O15,O17 |
| C5O2N2 | 0.368 | 6 | 1 | C3,C6,C7,C8,C9,N12,N13,O16,O17 |
| C5O2N2 | 0.368 | 6 | 0 | C3,C4,C6,C8,C9,N12,N13,O15,O16 |
| C5O2N2 | 0.368 | 6 | 0 | C3,C4,C6,C8,C9,N12,N13,O15,O17 |
| C5O2N2 | 0.368 | 6 | 0 | C3,C4,C6,C8,C9,N12,N13,O16,O17 |
| C4O3N2 | 0.325 | 2 | 0 | C3,C6,C8,C9,N12,N13,O15,O16,O17 |
| C6S1N1 | 0.454 | 8 | 0 | C1,C2,C4,C6,C7,C9,N13,S20 |
| C6S1N1 | 0.454 | 8 | 0 | C1,C2,C4,C5,C6,C7,N13,S20 |
| C7N3 | 0.350 | 0 | 0 | C1,C2,C3,C5,C6,C7,C9,N11,N12,N13 |
| C7N3 | 0.350 | 0 | 0 | C1,C2,C4,C5,C6,C7,C9,N11,N12,N13 |
| C7N3 | 0.350 | 0 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N12,N13 |
| C5O3N1 | 0.345 | 4 | 0 | C1,C2,C5,C7,C10,N11,O14,O18,O19 |
| C6O2N1 | 0.388 | 8 | 0 | C1,C2,C4,C6,C7,C9,N13,O14,O17 |
| C6O2N1 | 0.388 | 8 | 0 | C1,C2,C5,C6,C7,C9,N13,O14,O17 |
| C6O2N1 | 0.388 | 8 | 1 | C1,C2,C5,C6,C7,C10,N13,O14,O18 |
| C6O2N1 | 0.388 | 8 | 1 | C1,C2,C5,C6,C7,C10,N13,O18,O19 |
| C6O2N1 | 0.388 | 8 | 0 | C1,C2,C5,C6,C7,C10,N13,O14,O19 |
| C5S1N2 | 0.434 | 6 | 0 | C2,C4,C6,C7,C9,N12,N13,S20 |
| C5S1N2 | 0.434 | 6 | 0 | C3,C4,C6,C7,C9,N12,N13,S20 |
| C5S1N2 | 0.434 | 6 | 0 | C3,C4,C6,C8,C9,N12,N13,S20 |
| C8O1N1 | 0.347 | 0 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O17 |
| C8O1N1 | 0.347 | 0 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O18 |
| C8O1N1 | 0.347 | 0 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O19 |
| C8O1N1 | 0.347 | 0 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O14 |
| C4S1O1N2 | 0.391 | 2 | 0 | C3,C4,C6,C9,N12,N13,O17,S20 |
| C4S1O1N2 | 0.391 | 2 | 0 | C4,C6,C7,C9,N12,N13,O14,S20 |
| C4S1O1N2 | 0.391 | 2 | 0 | C4,C6,C7,C9,N12,N13,O17,S20 |
| C4S1O2N1 | 0.368 | 0 | 0 | C4,C6,C7,C9,N13,O14,O17,S20 |