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

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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['101.072', '111.056', '116.017', '123.056', '126.043', '129.038', '133.044', '137.072', '141.067', '144.012', '146.046', '148.952', '151.007', '153.067', '160.007', '166.098', '171.077', '177.034', '180.077', '184.109', '187.042', '197.056', '199.072', '210.088', '216.098', '228.099', '230.952', '242.078', '254.078', '260.089', '271.059', '273.091', '288.066', '305.797', '308.063']

Queried mass	Num. matched formulas	Num. matched fragments
101.072125 (link to fragments)	11	34
111.056496 (link to fragments)	12	61
116.017366 (link to fragments)	11	52
123.056169 (link to fragments)	13	77
126.043388 (link to fragments)	13	63
129.038464 (link to fragments)	16	77
133.043864 (link to fragments)	15	86
137.071785 (link to fragments)	15	92
141.066759 (link to fragments)	18	87
144.01198 (link to fragments)	16	96
146.045563 (link to fragments)	15	94
148.952269 (link to fragments)	15	105
151.006893 (link to fragments)	18	119
153.066748 (link to fragments)	19	113
160.007336 (link to fragments)	18	101
166.098428 (link to fragments)	16	109
171.077039 (link to fragments)	18	89
177.033932 (link to fragments)	1	1
180.077447	No match found!	No match found!
184.108595	No match found!	No match found!
187.04154	No match found!	No match found!
197.056138 (link to fragments)	2	2
199.07207 (link to fragments)	2	2
210.087874 (link to fragments)	1	1
216.098124 (link to fragments)	1	1
228.098657 (link to fragments)	1	2
230.952486 (link to fragments)	1	2
242.078035 (link to fragments)	1	1
254.077796 (link to fragments)	2	3
260.088655 (link to fragments)	3	4
271.058906 (link to fragments)	1	1
273.09126 (link to fragments)	2	7
288.065929 (link to fragments)	2	7
305.796696 (link to fragments)	1	1
308.063202 (link to fragments)	1	1