L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KO001262

Outputs for L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001262
Synonyms: Leu, L-Leucine, 2-Amino-4-methylvaleric acid, (2S)-alpha-Leucine, (2S)-alpha-2-Amino-4-methylvaleric acid
Total mass: 131.1724
Formula: H13 C6 O2 N1

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 84.3, 112.9, 130.0,
Processing time: 0:00:01.110647

Results for the quried mass "112.4"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.274	8	0	C1,C2,C3,C4,C5,C6,O8,O9
C5O2N1	0.294	6	0	C2,C3,C4,C5,C6,N7,O8,O9
C5O2N1	0.294	6	0	C1,C3,C4,C5,C6,N7,O8,O9
C6O1N1	0.251	10	0	C1,C2,C3,C4,C5,C6,N7,O9
C6O1N1	0.251	10	0	C1,C2,C3,C4,C5,C6,N7,O8