Processed databases
Atom-Mass pairs
Outputs for L-Glutathione (reduced form); LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00121
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: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 311.087975,391.282894,426.35669,615.175264,698.366038,922.255457,1075.798956,1229.339,
Replicated queried mass peaks: 163.132671, 179.0632, 223.063237, 223.115476, 224.06272, 224.127985, 235.037905, 291.064711, 291.084409, 307.574621, 307.809097, 307.918271, 307.996871, 308.018312, 308.036692, 308.04282, 308.044862, 308.053032, 308.057117, 308.05916, 308.061202, 308.065287, 308.06733, 308.073458, 308.078565, 308.081629, 308.084693, 308.090822, 308.098994, 308.105123, 308.107166, 308.11023, 308.113295, 308.115338, 308.119424, 308.123511, 308.127597, 308.130662, 308.133727, 308.138835, 308.162335, 308.184816, 308.263518, 308.373956, 309.084016, 309.087095, 309.093254, 309.101465, 309.66577, 310.087177, 310.092334, 311.09523, 392.286254, 616.176542, 617.168683, 617.180268, 923.261422, 924.247803, 1076.305668, 1230.341017,
Processing time: 0:00:03.613809
Results for the quried mass "107.069996"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C6,C7,C9,N13,O14,O17 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N11,O14,O18 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N11,O14,O19 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N13,O14,O18 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N13,O14,O19 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N13,O18,O19 |
| C5O2N1 | 0.003 | 1 | 0 | C1,C2,C5,C7,C10,N11,O18,O19 |
| C5O2N1 | 0.003 | 1 | 0 | C2,C4,C6,C7,C9,N13,O14,O17 |
| C5O2N1 | 0.003 | 1 | 0 | C3,C4,C6,C8,C9,N12,O15,O17 |
| C5O2N1 | 0.003 | 1 | 0 | C3,C4,C6,C8,C9,N12,O16,O17 |
| C5O2N1 | 0.003 | 1 | 0 | C3,C4,C6,C8,C9,N12,O15,O16 |
| C5O3 | 0.026 | 1 | 0 | C1,C2,C5,C7,C10,O14,O18,O19 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C4,C6,C7,C9,N13,O17 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C5,C6,C7,C9,N13,O17 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C5,C6,C7,C10,N13,O18 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C5,C6,C7,C10,N13,O19 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C5,C6,C7,C10,N13,O14 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C4,C5,C6,C7,N13,O14 |
| C6O1N1 | 0.040 | 5 | 0 | C1,C2,C5,C6,C7,C9,N13,O14 |
| C7N1 | 0.083 | 9 | 1 | C1,C2,C4,C5,C6,C7,C10,N13 |
| C7N1 | 0.083 | 9 | 1 | C1,C2,C4,C5,C6,C7,C9,N13 |
| C6N2 | 0.063 | 7 | 0 | C1,C2,C3,C6,C7,C9,N12,N13 |
| C6N2 | 0.063 | 7 | 0 | C1,C2,C4,C6,C7,C9,N12,N13 |
| C6N2 | 0.063 | 7 | 0 | C1,C2,C4,C5,C6,C7,N11,N13 |
| C6N2 | 0.063 | 7 | 1 | C1,C2,C5,C6,C7,C9,N12,N13 |
| C6N2 | 0.063 | 7 | 0 | C1,C2,C5,C6,C7,C9,N11,N13 |
| C6N2 | 0.063 | 7 | 0 | C1,C2,C5,C6,C7,C10,N11,N13 |
| C6N2 | 0.063 | 7 | 2 | C2,C3,C6,C7,C8,C9,N12,N13 |
| C6N2 | 0.063 | 7 | 0 | C2,C3,C4,C6,C7,C9,N12,N13 |
| C6N2 | 0.063 | 7 | 2 | C3,C4,C6,C7,C8,C9,N12,N13 |
| C5S1N1 | 0.063 | 1 | 0 | C1,C2,C4,C6,C7,N13,S20 |
| C5S1N1 | 0.063 | 1 | 0 | C2,C4,C6,C7,C9,N13,S20 |
| C5S1N1 | 0.063 | 1 | 0 | C3,C4,C6,C8,C9,N12,S20 |
| C4O2N2 | 0.023 | 1 | 0 | C3,C6,C7,C9,N12,N13,O14,O17 |
| C4O2N2 | 0.023 | 1 | 0 | C3,C6,C8,C9,N12,N13,O15,O17 |
| C4O2N2 | 0.023 | 1 | 0 | C3,C6,C8,C9,N12,N13,O16,O17 |
| C4O2N2 | 0.023 | 1 | 0 | C3,C6,C8,C9,N12,N13,O15,O16 |
| C4O2N2 | 0.023 | 1 | 0 | C4,C6,C7,C9,N12,N13,O14,O17 |
| C5O1N2 | 0.020 | 3 | 0 | C1,C2,C6,C7,C9,N12,N13,O17 |
| C5O1N2 | 0.020 | 3 | 0 | C1,C2,C6,C7,C9,N12,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C1,C2,C5,C7,C10,N11,N13,O18 |
| C5O1N2 | 0.020 | 3 | 0 | C1,C2,C5,C7,C10,N11,N13,O19 |
| C5O1N2 | 0.020 | 3 | 0 | C1,C2,C5,C6,C7,N11,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C2,C3,C6,C7,C9,N12,N13,O17 |
| C5O1N2 | 0.020 | 3 | 0 | C2,C3,C6,C7,C9,N12,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C2,C4,C6,C7,C9,N12,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C4,C6,C7,C9,N12,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C6,C7,C8,C9,N12,N13,O15 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C6,C7,C8,C9,N12,N13,O16 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C6,C7,C8,C9,N12,N13,O14 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C4,C6,C8,C9,N12,N13,O15 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C4,C6,C8,C9,N12,N13,O16 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C4,C6,C7,C9,N12,N13,O17 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C6,C7,C8,C9,N12,N13,O17 |
| C5O1N2 | 0.020 | 3 | 0 | C3,C4,C6,C8,C9,N12,N13,O17 |
| C4S1N2 | 0.043 | 1 | 0 | C3,C4,C6,C9,N12,N13,S20 |
| C4S1N2 | 0.043 | 1 | 0 | C4,C6,C7,C9,N12,N13,S20 |