L-Isoleucine; LC-ESI-ITFT; MS2; m/z:133.10; POS

Computational Annotation of MS Peaks (CAMP)

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Submission id: KNA00322

Outputs for L-Isoleucine; LC-ESI-ITFT; MS2; m/z:133.10; POS

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00322
Synonyms: L-Isoleucine, 2-Amino-3-methylvaleric acid
Total mass: 131.1724
Formula: H13 C6 O2 N1

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: 86.975876, 88.824753, 104.95166,
Processing time: 0:00:01.155675

Results for the quried mass "103.98558"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.077	0	0	C1,C2,C3,C4,C5,C6,O8,O9
C6O1N1	0.101	2	0	C1,C2,C3,C4,C5,C6,N7,O9
C6O1N1	0.101	2	0	C1,C2,C3,C4,C5,C6,N7,O8
C4O2N1	0.142	10	2	C2,C4,C5,C6,N7,O8,O9