NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
Home
Processed databases
Atom-Mass pairs

Search:
(Search for compound name or MassBank ID)

Submission id: KNA00123

Outputs for L-Glutathione (reduced form); LC-ESI-ITFT; MS2; m/z:309.09; POS


Database: Graduate School of Information Science, NAIST
Entry ID: KNA00123
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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 116.999146, 131.003418, 145.07666, 147.084686, 152.208008, 163.028488, 180.044952, 205.975677, 216.197052, 217.129547, 234.106842, 246.156067, 273.170319, 291.196594,
Processing time: 0:00:03.078927

Results for the quried mass "115.978645"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C5O2N1 0.159 10 2 C1,C2,C5,C7,C10,N11,O14,O18
C5O2N1 0.159 10 1 C1,C2,C5,C7,C10,N11,O14,O19
C5O2N1 0.159 10 2 C1,C2,C5,C7,C10,N11,O18,O19
C6O1N2 0.098 0 0 C1,C2,C3,C6,C7,C9,N12,N13,O17
C6O1N2 0.098 0 0 C1,C2,C3,C6,C7,C9,N12,N13,O14
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C9,N11,N13,O17
C6O1N2 0.098 0 0 C1,C2,C4,C5,C6,C7,N11,N13,O14
C6O1N2 0.098 0 0 C1,C2,C4,C6,C7,C9,N12,N13,O17
C6O1N2 0.098 0 0 C1,C2,C4,C6,C7,C9,N12,N13,O14
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C9,N11,N13,O14
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C9,N12,N13,O17
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C9,N12,N13,O14
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C10,N11,N13,O18
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C10,N11,N13,O19
C6O1N2 0.098 0 0 C1,C2,C5,C6,C7,C10,N11,N13,O14
C6O1N2 0.098 0 0 C2,C3,C6,C7,C8,C9,N12,N13,O15
C6O1N2 0.098 0 0 C2,C3,C6,C7,C8,C9,N12,N13,O16
C6O1N2 0.098 0 0 C2,C3,C6,C7,C8,C9,N12,N13,O17
C6O1N2 0.098 0 0 C2,C3,C6,C7,C8,C9,N12,N13,O14
C6O1N2 0.098 0 0 C2,C3,C4,C6,C7,C9,N12,N13,O17
C6O1N2 0.098 0 0 C2,C3,C4,C6,C7,C9,N12,N13,O14
C6O1N2 0.098 0 0 C3,C4,C6,C7,C8,C9,N12,N13,O15
C6O1N2 0.098 0 0 C3,C4,C6,C7,C8,C9,N12,N13,O16
C6O1N2 0.098 0 0 C3,C4,C6,C7,C8,C9,N12,N13,O14
C6O1N2 0.098 0 0 C3,C4,C6,C7,C8,C9,N12,N13,O17
C5O3 0.136 8 1 C1,C2,C5,C7,C10,O14,O18,O19
C7N2 0.141 4 0 C1,C2,C3,C6,C7,C8,C9,N12,N13
C7N2 0.141 4 0 C1,C2,C3,C4,C6,C7,C9,N12,N13
C7N2 0.141 4 0 C1,C2,C3,C5,C6,C7,C9,N12,N13
C7N2 0.141 4 0 C1,C2,C5,C6,C7,C9,C10,N12,N13
C7N2 0.141 4 0 C1,C2,C4,C5,C6,C7,C10,N11,N13
C7N2 0.141 4 0 C1,C2,C4,C5,C6,C7,C9,N11,N13
C7N2 0.141 4 0 C1,C2,C4,C5,C6,C7,C9,N12,N13
C7N2 0.141 4 0 C1,C2,C5,C6,C7,C9,C10,N11,N13
C7N2 0.141 4 0 C2,C3,C4,C6,C7,C8,C9,N12,N13
C8N1 0.161 6 0 C1,C2,C4,C5,C6,C7,C9,C10,N13
C6N3 0.121 2 0 C1,C2,C5,C6,C7,C9,N11,N12,N13
C5S1N1 0.226 10 2 C1,C2,C4,C6,C7,N13,S20
C3S1O1N2 0.163 4 0 C4,C6,C9,N12,N13,O17,S20
C4S1O1N1 0.183 6 0 C2,C4,C6,C7,N13,O14,S20
C4S1O1N1 0.183 6 0 C3,C4,C6,C9,N12,O17,S20
C4S1O1N1 0.183 6 1 C4,C6,C7,C9,N13,O14,S20
C4S1O1N1 0.183 6 1 C4,C6,C7,C9,N13,O17,S20
C7O1N1 0.118 2 0 C1,C2,C4,C5,C6,C7,C10,N13,O18
C7O1N1 0.118 2 0 C1,C2,C4,C5,C6,C7,C10,N13,O19
C7O1N1 0.118 2 0 C1,C2,C5,C6,C7,C9,C10,N13,O18
C7O1N1 0.118 2 0 C1,C2,C5,C6,C7,C9,C10,N13,O19
C7O1N1 0.118 2 0 C1,C2,C5,C6,C7,C9,C10,N13,O17
C7O1N1 0.118 2 0 C1,C2,C4,C5,C6,C7,C10,N13,O14
C7O1N1 0.118 2 0 C1,C2,C4,C5,C6,C7,C9,N13,O17
C7O1N1 0.118 2 0 C1,C2,C5,C6,C7,C9,C10,N13,O14
C7O1N1 0.118 2 0 C1,C2,C4,C5,C6,C7,C9,N13,O14
C4O3N1 0.116 6 1 C3,C6,C8,C9,N12,O15,O16,O17
C4S1N2 0.206 8 2 C3,C4,C6,C9,N12,N13,S20
Flag Counter