Methylmalonic acid; GC-EI-TOF; MS; 2 TMS; BP:147

Computational Annotation of MS Peaks (CAMP)

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Submission id: PR010112

Outputs for Methylmalonic acid; GC-EI-TOF; MS; 2 TMS; BP:147

Database: Plant Science Center, RIKEN
Entry ID: PR010112
Synonyms: Methylmalonic acid, Methylmalonate
Total mass: 118.0878
Formula: H6 C4 O4

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: 129.0,132.0,135.0,143.0,146.0,149.0,157.0,163.0,172.0,175.0,190.0,203.0,217.0,220.0,231.0,247.0,262.0,
Replicated queried mass peaks: 61.0, 62.0, 65.0, 67.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 83.0, 85.0, 86.0, 88.0, 89.0, 94.0, 95.0, 100.0, 101.0, 103.0, 104.0, 114.0, 115.0, 117.0, 118.0, 130.0, 131.0, 133.0, 134.0, 145.0, 147.0, 148.0, 150.0, 151.0, 158.0, 159.0, 173.0, 191.0, 204.0, 205.0, 218.0, 219.0, 232.0, 248.0, 249.0,
Processing time: 0:00:01.189323

Results for the quried mass "113.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O4	0.048	1	0	C1,C2,C3,C4,O5,O6,O7,O8