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Submission id: KNA00121

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: 2.0158
Out 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 "162.021856"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O18
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O19
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O17,O18
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O17,O19
C8O2N2 0.123 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O15,O17
C8O2N2 0.123 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O16,O17
C8O2N2 0.123 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O15
C8O2N2 0.123 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O16
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O15,O17
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O16,O17
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O15
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O16
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O18,O19
C8O2N2 0.123 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O18
C8O2N2 0.123 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O19
C8O2N2 0.123 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O17,O18
C8O2N2 0.123 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O17,O19
C8O2N2 0.123 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O17
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O14,O17
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13,O14,O17
C8O2N2 0.123 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,O14,O17
C8O2N2 0.123 6 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13,O15,O16
C8O2N2 0.123 6 0 C1,C2,C3,C4,C5,C6,C7,C9,N12,N13,O14,O17
C7S1O1N2 0.147 2 0 C1,C2,C3,C4,C6,C7,C9,N12,N13,O14,S20
C7S1O1N2 0.147 2 0 C1,C2,C3,C4,C6,C7,C9,N12,N13,O17,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C9,N11,N13,O17,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C10,N11,N13,O18,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C10,N11,N13,O19,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C9,N12,N13,O14,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C9,N11,N13,O14,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C9,N12,N13,O17,S20
C7S1O1N2 0.147 2 0 C1,C2,C4,C5,C6,C7,C10,N11,N13,O14,S20
C7S1O1N2 0.147 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O15,S20
C7S1O1N2 0.147 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O16,S20
C7S1O1N2 0.147 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,S20
C7S1O1N2 0.147 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O17,S20
C8S1N2 0.190 6 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13,S20
C8S1N2 0.190 6 0 C1,C2,C3,C4,C5,C6,C7,C9,N12,N13,S20
C8S1N2 0.190 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13,S20
C8S1N2 0.190 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N11,N13,S20
C10N3 0.105 0 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,N12,N13
C7S1N3 0.170 4 0 C1,C2,C4,C5,C6,C7,C9,N11,N12,N13,S20
C8O3N1 0.100 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,O17,O18
C8O3N1 0.100 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,O17,O19
C5S1O2N2 0.188 10 2 C2,C4,C6,C7,C9,N12,N13,O14,O17,S20
C5S1O2N2 0.188 10 2 C3,C4,C6,C7,C9,N12,N13,O14,O17,S20
C5S1O2N2 0.188 10 2 C3,C4,C6,C8,C9,N12,N13,O16,O17,S20
C7O3N2 0.080 2 0 C1,C2,C3,C6,C7,C8,C9,N12,N13,O14,O15,O17
C7O3N2 0.080 2 0 C1,C2,C3,C6,C7,C8,C9,N12,N13,O14,O16,O17
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N11,N13,O14,O17,O18
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N11,N13,O14,O17,O19
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O18,O19
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O17,O18
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N12,N13,O14,O17,O19
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N11,N13,O17,O18,O19
C7O3N2 0.080 2 0 C1,C2,C4,C5,C6,C7,C10,N11,N13,O14,O18,O19
C7O3N2 0.080 2 0 C1,C2,C5,C6,C7,C9,C10,N11,N13,O14,O18,O19
C7O3N2 0.080 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O15,O17
C7O3N2 0.080 2 0 C2,C3,C4,C6,C7,C8,C9,N12,N13,O14,O16,O17
C9N3 0.189 12 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,N11,N12,N13
C9N3 0.189 12 2 C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,N12,N13
C9N3 0.189 12 0 C1,C2,C3,C4,C5,C6,C7,C9,C10,N11,N12,N13
C7O2N3 0.104 4 0 C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O14,O18
C7O2N3 0.104 4 0 C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O14,O19
C7O2N3 0.104 4 0 C1,C2,C5,C6,C7,C9,C10,N11,N12,N13,O18,O19
C7O2N3 0.104 4 0 C1,C2,C3,C5,C6,C7,C9,N11,N12,N13,O14,O17
C7O2N3 0.104 4 0 C1,C2,C4,C5,C6,C7,C9,N11,N12,N13,O14,O17
C7S1O2N1 0.124 0 0 C1,C2,C4,C5,C6,C7,C10,N13,O14,O18,S20
C7S1O2N1 0.124 0 0 C1,C2,C4,C5,C6,C7,C10,N13,O14,O19,S20
C7S1O2N1 0.124 0 0 C1,C2,C4,C5,C6,C7,C10,N13,O18,O19,S20
C7S1O2N1 0.124 0 0 C1,C2,C4,C5,C6,C7,C9,N13,O14,O17,S20
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O15
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O16
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O17
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C8,C9,N11,N12,N13,O14
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O18
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O19
C8O1N3 0.146 8 0 C1,C2,C3,C4,C5,C6,C7,C9,N11,N12,N13,O14
C8O1N3 0.146 8 0 C1,C2,C3,C5,C6,C7,C9,C10,N11,N12,N13,O14
C8O1N3 0.146 8 0 C1,C2,C3,C4,C5,C6,C7,C9,N11,N12,N13,O17
C6S1O1N2 0.231 14 2 C1,C2,C4,C5,C6,C7,N11,N13,O14,S20
C5S1O3N1 0.165 8 0 C3,C4,C6,C8,C9,N12,O15,O16,O17,S20
C7O4N1 0.057 0 0 C1,C2,C5,C6,C7,C9,C10,N13,O14,O17,O18,O19
C6S1O2N1 0.208 12 2 C1,C2,C4,C6,C7,C9,N13,O14,O17,S20
C9O1N2 0.166 10 2 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O18
C9O1N2 0.166 10 1 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O19
C9O1N2 0.166 10 2 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O15
C9O1N2 0.166 10 1 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O16
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C9,C10,N12,N13,O18
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C9,C10,N12,N13,O19
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,N12,N13,O15
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,N12,N13,O16
C9O1N2 0.166 10 1 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O17
C9O1N2 0.166 10 1 C1,C2,C3,C5,C6,C7,C8,C9,C10,N12,N13,O14
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,N12,N13,O17
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C9,C10,N12,N13,O14
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C8,C9,N12,N13,O14
C9O1N2 0.166 10 0 C1,C2,C3,C4,C5,C6,C7,C9,C10,N12,N13,O17
C8S1O1N1 0.166 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O17,S20
C8S1O1N1 0.166 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O18,S20
C8S1O1N1 0.166 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O19,S20
C8S1O1N1 0.166 4 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O14,S20
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