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 "166.062683"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O18 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O19 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O17,O18 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O17,O19 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O15,O17 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O16,O17 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O15 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O16 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O15,O17 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O16,O17 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O15 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O16 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O18,O19 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O18 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O19 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O17,O18 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O17,O19 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O17 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O17 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O17 |
| C8O2N2 | 0.114 | 10 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O15,O16 |
| C8O2N2 | 0.114 | 10 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O17 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C3,C4,C6,C7,C9,N12,N13,O14,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C3,C4,C6,C7,C9,N12,N13,O17,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C9,N11,N13,O17,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C10,N11,N13,O18,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C10,N11,N13,O19,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C9,N11,N13,O14,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C9,N12,N13,O14,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C9,N12,N13,O17,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C1,C2,C4,C5,C6,C7,C10,N11,N13,O14,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O15,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O16,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,S20 |
| C7S1O1N2 | 0.137 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O17,S20 |
| C8S1N2 | 0.180 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,S20 |
| C8S1N2 | 0.180 | 10 | 0 | C1,C2,C3,C4,C5,C6,C7,C9,N12,N13,S20 |
| C8S1N2 | 0.180 | 10 | 1 | C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,S20 |
| C8S1N2 | 0.180 | 10 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N11,N13,S20 |
| C10N3 | 0.096 | 4 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,N12,N13 |
| C7S1N3 | 0.161 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,N11,N12,N13,S20 |
| C8O3N1 | 0.091 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,O17,O18 |
| C8O3N1 | 0.091 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,O17,O19 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C3,C6,C7,C8,C9,N12,N13,O14,O15,O17 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C3,C6,C7,C8,C9,N12,N13,O14,O16,O17 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N13,O14,O17,O18 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N13,O14,O17,O19 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O18,O19 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N13,O17,O18,O19 |
| C7O3N2 | 0.071 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O15,O17 |
| C7O3N2 | 0.071 | 6 | 0 | C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O16,O17 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O17,O18 |
| C7O3N2 | 0.071 | 6 | 0 | C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O17,O19 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N11,N12,N13,O15 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N11,N12,N13,O16 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13,O15 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13,O16 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13,O18 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13,O19 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N11,N12,N13,O14 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13,O14 |
| C9O1N3 | 0.053 | 0 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N11,N12,N13,O17 |
| C7O2N3 | 0.094 | 8 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O14,O18 |
| C7O2N3 | 0.094 | 8 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O14,O19 |
| C7O2N3 | 0.094 | 8 | 0 | C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O18,O19 |
| C7O2N3 | 0.094 | 8 | 0 | C1,C2,C3,C5,C6,C7,C9,N11,N12,N13,O14,O17 |
| C7O2N3 | 0.094 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,N11,N12,N13,O14,O17 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O15 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O16 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O18 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O19 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O14 |
| C10O1N2 | 0.073 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,O17 |
| C8O1N3 | 0.137 | 12 | 2 | C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O15 |
| C8O1N3 | 0.137 | 12 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O16 |
| C8O1N3 | 0.137 | 12 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O17 |
| C8O1N3 | 0.137 | 12 | 1 | C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O14 |
| C8O1N3 | 0.137 | 12 | 2 | C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O18 |
| C8O1N3 | 0.137 | 12 | 1 | C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O19 |
| C8O1N3 | 0.137 | 12 | 0 | C1,C2,C3,C4,C5,C6,C7,C9,N11,N12,N13,O14 |
| C8O1N3 | 0.137 | 12 | 1 | C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O14 |
| C8O1N3 | 0.137 | 12 | 0 | C1,C2,C3,C4,C5,C6,C7,C9,N11,N12,N13,O17 |
| C6S1O2N2 | 0.095 | 2 | 0 | C3,C4,C6,C7,C8,C9,N12,N13,O14,O15,S20 |
| C6S1O2N2 | 0.095 | 2 | 0 | C3,C4,C6,C7,C8,C9,N12,N13,O14,O16,S20 |
| C6S1O2N2 | 0.095 | 2 | 0 | C3,C4,C6,C7,C8,C9,N12,N13,O15,O17,S20 |
| C6S1O2N2 | 0.095 | 2 | 0 | C3,C4,C6,C7,C8,C9,N12,N13,O16,O17,S20 |
| C8S1O1N1 | 0.157 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O17,S20 |
| C8S1O1N1 | 0.157 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O18,S20 |
| C8S1O1N1 | 0.157 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O19,S20 |
| C8S1O1N1 | 0.157 | 8 | 0 | C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,S20 |
| C7O4N1 | 0.048 | 4 | 0 | C1,C2,C5,C6,C7,C9,C10,N13,O14,O17,O18,O19 |
| C7S1O2N1 | 0.114 | 4 | 0 | C1,C2,C4,C5,C6,C7,C10,N13,O14,O18,S20 |
| C7S1O2N1 | 0.114 | 4 | 0 | C1,C2,C4,C5,C6,C7,C10,N13,O14,O19,S20 |
| C7S1O2N1 | 0.114 | 4 | 0 | C1,C2,C4,C5,C6,C7,C10,N13,O18,O19,S20 |
| C7S1O2N1 | 0.114 | 4 | 0 | C1,C2,C4,C5,C6,C7,C9,N13,O14,O17,S20 |