L-Isoleucine; GC-EI-TOF; MS; 2 TMS; BP:158

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KZ000233

Outputs for L-Isoleucine; GC-EI-TOF; MS; 2 TMS; BP:158

Database: Kazusa DNA Research Institute
Entry ID: KZ000233
Synonyms: L-Isoleucine
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: 135.0,140.0,143.0,146.0,149.0,152.0,157.0,160.0,163.0,170.0,173.0,176.0,186.0,192.0,202.0,205.0,216.0,219.0,222.0,232.0,235.0,261.0,
Replicated queried mass peaks: 83.0, 84.0, 86.0, 87.0, 89.0, 90.0, 92.0, 96.0, 97.0, 99.0, 100.0, 102.0, 103.0, 105.0, 112.0, 114.0, 115.0, 117.0, 118.0, 120.0, 127.0, 128.0, 130.0, 131.0, 133.0, 134.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 158.0, 159.0, 161.0, 162.0, 164.0, 171.0, 172.0, 174.0, 175.0, 177.0, 203.0, 204.0, 217.0, 218.0, 220.0, 221.0, 233.0, 234.0, 262.0,
Processing time: 0:00:01.091857

Results for the quried mass "116.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.158	12	1	C1,C2,C3,C4,C5,C6,O8,O9
C5O2N1	0.138	10	0	C2,C3,C4,C5,C6,N7,O8,O9
C5O2N1	0.138	10	0	C1,C3,C4,C5,C6,N7,O8,O9
C6O1N1	0.181	14	1	C1,C2,C3,C4,C5,C6,N7,O9
C6O1N1	0.181	14	2	C1,C2,C3,C4,C5,C6,N7,O8