Ketovaline; GC-EI-TOF; MS; n TMS; RT:338.031 sec

Computational Annotation of MS Peaks (CAMP)

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Submission id: OUF00290

Outputs for Ketovaline; GC-EI-TOF; MS; n TMS; RT:338.031 sec

Database: Engineering department, Osaka Univ.
Entry ID: OUF00290
Synonyms: Ketovaline
Total mass: 116.1149
Formula: H8 C5 O3

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: 119.0,126.0,129.0,132.0,136.0,140.0,143.0,146.0,157.0,161.0,164.0,170.0,173.0,186.0,189.0,202.0,207.0,215.0,218.0,233.0,239.0,262.0,272.0,276.0,288.0,300.0,304.0,311.0,315.0,330.0,337.0,340.0,365.0,369.0,376.0,383.0,386.0,389.0,404.0,413.0,425.0,438.0,445.0,451.0,458.0,461.0,470.0,486.0,494.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 96.0, 98.0, 99.0, 101.0, 102.0, 104.0, 105.0, 107.0, 111.0, 112.0, 114.0, 115.0, 117.0, 118.0, 127.0, 128.0, 131.0, 137.0, 138.0, 141.0, 142.0, 144.0, 145.0, 158.0, 162.0, 165.0, 171.0, 172.0, 187.0, 188.0, 190.0, 203.0, 204.0, 216.0, 217.0, 235.0, 277.0, 338.0, 370.0, 378.0, 414.0, 472.0,
Processing time: 0:00:00.733590

Results for the quried mass "94.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O2	0.068	2	0	C1,C2,C3,C4,C5,O7,O8
C5O2	0.068	2	0	C1,C2,C3,C4,C5,O6,O8
C5O2	0.068	2	0	C1,C2,C3,C4,C5,O6,O7