L-Isoleucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003174

Outputs for L-Isoleucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003174
Synonyms: Ile, 2-Amino-3-methylvaleric acid, L-Isoleucine
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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 43.0, 45.1, 56.1, 57.2, 59.1, 68.0, 98.0,
Processing time: 0:00:01.851936

Results for the quried mass "115.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.050	11	0	C1,C2,C3,C4,C5,C6,O8,O9
C5O2N1	0.030	9	0	C2,C3,C4,C5,C6,N7,O8,O9
C5O2N1	0.030	9	0	C1,C3,C4,C5,C6,N7,O8,O9
C6O1N1	0.073	13	0	C1,C2,C3,C4,C5,C6,N7,O9
C6O1N1	0.073	13	1	C1,C2,C3,C4,C5,C6,N7,O8