L-Valine; GC-EI-TOF; MS; 2 TMS; BP:144

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KZ000240

Outputs for L-Valine; GC-EI-TOF; MS; 2 TMS; BP:144

Database: Kazusa DNA Research Institute
Entry ID: KZ000240
Synonyms: L-Valine
Total mass: 117.1459
Formula: H11 C5 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: 120.0,126.0,129.0,132.0,135.0,142.0,145.0,148.0,151.0,156.0,159.0,163.0,172.0,175.0,202.0,218.0,221.0,230.0,246.0,
Replicated queried mass peaks: 83.0, 84.0, 86.0, 87.0, 89.0, 90.0, 97.0, 98.0, 100.0, 101.0, 103.0, 104.0, 106.0, 110.0, 112.0, 113.0, 115.0, 116.0, 118.0, 119.0, 121.0, 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, 174.0, 203.0, 204.0, 219.0, 220.0, 222.0, 247.0, 248.0,
Processing time: 0:00:00.725694

Results for the quried mass "96.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O2N1	0.064	2	0	C2,C3,C4,C5,N6,O7,O8
C4O2N1	0.064	2	0	C1,C3,C4,C5,N6,O7,O8
C5O1N1	0.107	6	0	C1,C2,C3,C4,C5,N6,O8
C5O1N1	0.107	6	0	C1,C2,C3,C4,C5,N6,O7
C5O2	0.084	4	0	C1,C2,C3,C4,C5,O7,O8