Processed databases
Atom-Mass pairs
Outputs for L-Glutathione (reduced form); LC-ESI-ITFT; MS2; m/z:306.08; NEG
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00520
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: 146.154846, 167.101532, 171.112457, 215.15686,
Processing time: 0:00:04.724794
Results for the quried mass "99.084778"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3S1N2 | 0.049 | 3 | 0 | C4,C6,C9,N12,N13,S20 |
| C3S1O1N1 | 0.026 | 1 | 0 | C4,C6,C7,N13,O14,S20 |
| C3S1O1N1 | 0.026 | 1 | 0 | C4,C6,C9,N12,O17,S20 |
| C3S1O1N1 | 0.026 | 1 | 0 | C4,C6,C9,N13,O17,S20 |
| C3O2N2 | 0.017 | 3 | 0 | C6,C7,C9,N12,N13,O14,O17 |
| C5O2 | 0.023 | 7 | 1 | C1,C2,C5,C7,C10,O14,O18 |
| C5O2 | 0.023 | 7 | 0 | C1,C2,C5,C7,C10,O14,O19 |
| C5O2 | 0.023 | 7 | 1 | C1,C2,C5,C7,C10,O18,O19 |
| C7N1 | 0.005 | 1 | 0 | C1,C2,C4,C5,C6,C7,C10,N13 |
| C7N1 | 0.005 | 1 | 0 | C1,C2,C5,C6,C7,C9,C10,N13 |
| C7N1 | 0.005 | 1 | 0 | C1,C2,C4,C5,C6,C7,C9,N13 |
| C3O3N1 | 0.040 | 1 | 0 | C3,C8,C9,N12,O15,O16,O17 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C3,C6,C7,C9,N12,N13 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C4,C6,C7,C9,N12,N13 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C4,C5,C6,C7,N11,N13 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C5,C6,C7,C9,N12,N13 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C5,C6,C7,C9,N11,N13 |
| C6N2 | 0.015 | 1 | 0 | C1,C2,C5,C6,C7,C10,N11,N13 |
| C6N2 | 0.015 | 1 | 0 | C2,C3,C6,C7,C8,C9,N12,N13 |
| C6N2 | 0.015 | 1 | 0 | C2,C3,C4,C6,C7,C9,N12,N13 |
| C6N2 | 0.015 | 1 | 0 | C3,C4,C6,C7,C8,C9,N12,N13 |
| C4O2N1 | 0.003 | 5 | 0 | C1,C2,C5,C10,N11,O18,O19 |
| C4O2N1 | 0.003 | 5 | 0 | C2,C6,C7,C9,N13,O14,O17 |
| C4O2N1 | 0.003 | 5 | 1 | C3,C6,C8,C9,N12,O15,O16 |
| C4O2N1 | 0.003 | 5 | 1 | C3,C6,C8,C9,N12,O15,O17 |
| C4O2N1 | 0.003 | 5 | 0 | C3,C6,C8,C9,N12,O16,O17 |
| C4O2N1 | 0.003 | 5 | 0 | C4,C6,C7,C9,N13,O14,O17 |
| C4O1N2 | 0.026 | 7 | 0 | C1,C2,C5,C7,N11,N13,O14 |
| C4O1N2 | 0.026 | 7 | 1 | C3,C4,C6,C9,N12,N13,O17 |
| C4S1N1 | 0.069 | 5 | 0 | C2,C4,C6,C7,N13,S20 |
| C4S1N1 | 0.069 | 5 | 0 | C3,C4,C6,C9,N12,S20 |
| C4S1N1 | 0.069 | 5 | 1 | C4,C6,C7,C9,N13,S20 |
| C5O1N1 | 0.046 | 9 | 1 | C1,C2,C4,C6,C7,N13,O14 |
| C5O1N1 | 0.046 | 9 | 2 | C1,C2,C5,C6,C7,N13,O14 |
| C5O1N1 | 0.046 | 9 | 1 | C1,C2,C5,C7,C10,N11,O14 |
| C5O1N1 | 0.046 | 9 | 2 | C1,C2,C5,C7,C10,N11,O18 |
| C5O1N1 | 0.046 | 9 | 1 | C1,C2,C5,C7,C10,N11,O19 |