L-Isoleucine; GC-EI-TOF; MS; 2 TMS; BP:73

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR010061

Outputs for L-Isoleucine; GC-EI-TOF; MS; 2 TMS; BP:73

Database: Plant Science Center, RIKEN
Entry ID: PR010061
Synonyms: L-Isoleucine, 2-Amino-3-methylvaleric acid
Total mass: 131.1724
Formula: H13 C6 O2 N1

Experimental information

MS type: MS
Instrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 135.0,142.0,145.0,148.0,156.0,159.0,163.0,170.0,174.0,188.0,203.0,216.0,219.0,232.0,235.0,246.0,260.0,
Replicated queried mass peaks: 61.0, 62.0, 65.0, 67.0, 70.0, 71.0, 74.0, 75.0, 77.0, 81.0, 82.0, 84.0, 85.0, 87.0, 88.0, 90.0, 91.0, 97.0, 98.0, 100.0, 101.0, 103.0, 104.0, 111.0, 112.0, 114.0, 115.0, 117.0, 118.0, 127.0, 128.0, 130.0, 131.0, 133.0, 134.0, 143.0, 144.0, 146.0, 147.0, 149.0, 150.0, 157.0, 158.0, 160.0, 161.0, 171.0, 172.0, 175.0, 204.0, 218.0, 220.0, 221.0, 233.0, 234.0, 261.0,
Processing time: 0:00:01.816622

Results for the quried mass "80.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.108	6	0	C1,C2,C3,C4,C5,N7