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Submission id: KNA00519

Outputs for L-Glutathione (reduced form); LC-ESI-ITFT; MS; NEG


Database: Graduate School of Information Science, NAIST
Entry ID: KNA00519
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 310.980895,328.056999,349.991827,354.061008,358.986729,377.113182,404.04365,440.024802,458.090488,482.101522,523.987343,527.181234,529.197155,595.150155,612.895696,615.155144,635.141374,651.107491,666.07274,675.084763,747.107553,836.28327,902.234917,920.199079,922.243441,942.225186,973.150937,1073.78796,1227.329352,1230.324268,1380.868978,
Replicated queried mass peaks: 102.056029, 112.040536, 125.035411, 127.051156, 128.033278, 128.035468, 128.037384, 128.039847, 131.046121, 135.056203, 138.055769, 143.040973, 143.043558, 143.046144, 143.04873, 143.051316, 144.04921, 145.061542, 155.082528, 162.002788, 167.046013, 167.082323, 179.045981, 181.061223, 185.056175, 198.087644, 211.091347, 229.10167, 231.044022, 255.080819, 272.075204, 272.081987, 272.088771, 272.09301, 272.096402, 272.102338, 274.092442, 289.068928, 305.982676, 305.987732, 305.991777, 305.997845, 306.00189, 306.004924, 306.012004, 306.020095, 306.022118, 306.030209, 306.034255, 306.038301, 306.040324, 306.04437, 306.046393, 306.050439, 306.052462, 306.059544, 306.067637, 306.07573, 306.084835, 306.091917, 306.097988, 306.101024, 306.104059, 306.106083, 306.11013, 306.114177, 306.116201, 306.119237, 306.123285, 306.128344, 306.13138, 306.133404, 306.138464, 306.147572, 306.153644, 306.160729, 306.169838, 306.356159, 307.062479, 307.070612, 307.078745, 307.083829, 307.085862, 307.087895, 308.071374, 308.078526, 308.082612, 309.073957, 309.08217, 329.060658, 330.03381, 359.995042, 360.998537, 404.051322, 405.045955, 406.039627, 530.056099, 613.093545, 613.113622, 613.136569, 613.159517, 613.179597, 613.185334, 613.205416, 613.21976, 613.426378, 614.115859, 614.138861, 614.161865, 614.181995, 614.187747, 614.207877, 616.159503, 616.171061, 636.146592, 637.117736, 637.135967, 667.080687, 668.081137, 920.241271, 920.278191, 920.288741, 921.249465, 923.244328, 943.225946, 974.161171, 1074.280068, 1074.792485, 1075.285283, 1075.791754, 1227.816907, 1228.329152, 1228.825441, 1229.330175, 1381.353836, 1381.382935, 1381.877769, 1382.353448,
Processing time: 0:00:04.543903

Results for the quried mass "126.043388"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C8N2 0.071 2 0 C1,C2,C3,C4,C6,C7,C8,C9,N12,N13
C8N2 0.071 2 0 C1,C2,C3,C5,C6,C7,C8,C9,N12,N13
C8N2 0.071 2 0 C1,C2,C3,C5,C6,C7,C9,C10,N12,N13
C8N2 0.071 2 0 C1,C2,C3,C4,C5,C6,C7,C9,N12,N13
C8N2 0.071 2 0 C1,C2,C4,C5,C6,C7,C9,C10,N12,N13
C8N2 0.071 2 0 C1,C2,C4,C5,C6,C7,C9,C10,N11,N13
C5S1O1N1 0.113 4 0 C1,C2,C4,C6,C7,N13,O14,S20
C5S1O1N1 0.113 4 0 C2,C4,C6,C7,C9,N13,O17,S20
C5S1O1N1 0.113 4 0 C2,C4,C6,C7,C9,N13,O14,S20
C5S1O1N1 0.113 4 0 C3,C4,C6,C8,C9,N12,O15,S20
C5S1O1N1 0.113 4 0 C3,C4,C6,C8,C9,N12,O16,S20
C5S1O1N1 0.113 4 0 C3,C4,C6,C8,C9,N12,O17,S20
C6O1N2 0.113 10 2 C1,C2,C3,C6,C7,C9,N12,N13,O17
C6O1N2 0.113 10 2 C1,C2,C3,C6,C7,C9,N12,N13,O14
C6O1N2 0.113 10 1 C1,C2,C5,C6,C7,C9,N11,N13,O17
C6O1N2 0.113 10 0 C1,C2,C4,C5,C6,C7,N11,N13,O14
C6O1N2 0.113 10 2 C1,C2,C4,C6,C7,C9,N12,N13,O17
C6O1N2 0.113 10 2 C1,C2,C4,C6,C7,C9,N12,N13,O14
C6O1N2 0.113 10 1 C1,C2,C5,C6,C7,C9,N11,N13,O14
C6O1N2 0.113 10 2 C1,C2,C5,C6,C7,C10,N11,N13,O18
C6O1N2 0.113 10 1 C1,C2,C5,C6,C7,C10,N11,N13,O19
C6O1N2 0.113 10 1 C1,C2,C5,C6,C7,C10,N11,N13,O14
C6O1N2 0.113 10 2 C2,C3,C4,C6,C7,C9,N12,N13,O17
C6O1N2 0.113 10 2 C2,C3,C4,C6,C7,C9,N12,N13,O14
C5O2N2 0.070 6 0 C1,C2,C6,C7,C9,N12,N13,O14,O17
C5O2N2 0.070 6 0 C1,C2,C5,C7,C10,N11,N13,O14,O18
C5O2N2 0.070 6 0 C1,C2,C5,C7,C10,N11,N13,O18,O19
C5O2N2 0.070 6 0 C1,C2,C5,C7,C10,N11,N13,O14,O19
C5O2N2 0.070 6 0 C2,C3,C6,C7,C9,N12,N13,O14,O17
C5O2N2 0.070 6 0 C2,C4,C6,C7,C9,N12,N13,O14,O17
C5O2N2 0.070 6 2 C3,C6,C7,C8,C9,N12,N13,O14,O15
C5O2N2 0.070 6 1 C3,C6,C7,C8,C9,N12,N13,O14,O16
C5O2N2 0.070 6 0 C3,C4,C6,C7,C9,N12,N13,O14,O17
C5O2N2 0.070 6 1 C3,C6,C7,C8,C9,N12,N13,O14,O17
C5O2N2 0.070 6 2 C3,C6,C7,C8,C9,N12,N13,O15,O16
C5O2N2 0.070 6 2 C3,C6,C7,C8,C9,N12,N13,O15,O17
C5O2N2 0.070 6 1 C3,C6,C7,C8,C9,N12,N13,O16,O17
C5O2N2 0.070 6 0 C3,C4,C6,C8,C9,N12,N13,O15,O16
C5O2N2 0.070 6 0 C3,C4,C6,C8,C9,N12,N13,O15,O17
C5O2N2 0.070 6 0 C3,C4,C6,C8,C9,N12,N13,O16,O17
C4O3N2 0.027 2 0 C3,C6,C8,C9,N12,N13,O15,O16,O17
C6S1N1 0.156 8 0 C1,C2,C4,C6,C7,C9,N13,S20
C6S1N1 0.156 8 0 C1,C2,C4,C5,C6,C7,N13,S20
C7N3 0.052 0 0 C1,C2,C3,C5,C6,C7,C9,N11,N12,N13
C7N3 0.052 0 0 C1,C2,C4,C5,C6,C7,C9,N11,N12,N13
C7N3 0.052 0 0 C1,C2,C5,C6,C7,C9,C10,N11,N12,N13
C5O3N1 0.047 4 0 C1,C2,C5,C7,C10,N11,O14,O18,O19
C6O2N1 0.090 8 0 C1,C2,C4,C6,C7,C9,N13,O14,O17
C6O2N1 0.090 8 0 C1,C2,C5,C6,C7,C9,N13,O14,O17
C6O2N1 0.090 8 1 C1,C2,C5,C6,C7,C10,N13,O14,O18
C6O2N1 0.090 8 1 C1,C2,C5,C6,C7,C10,N13,O18,O19
C6O2N1 0.090 8 0 C1,C2,C5,C6,C7,C10,N13,O14,O19
C5S1N2 0.136 6 0 C2,C4,C6,C7,C9,N12,N13,S20
C5S1N2 0.136 6 0 C3,C4,C6,C7,C9,N12,N13,S20
C5S1N2 0.136 6 0 C3,C4,C6,C8,C9,N12,N13,S20
C8O1N1 0.048 0 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O17
C8O1N1 0.048 0 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O18
C8O1N1 0.048 0 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O19
C8O1N1 0.048 0 0 C1,C2,C4,C5,C6,C7,C9,C10,N13,O14
C4S1O1N2 0.093 2 0 C3,C4,C6,C9,N12,N13,O17,S20
C4S1O1N2 0.093 2 0 C4,C6,C7,C9,N12,N13,O14,S20
C4S1O1N2 0.093 2 0 C4,C6,C7,C9,N12,N13,O17,S20
C4S1O2N1 0.070 0 0 C4,C6,C7,C9,N13,O14,O17,S20
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