DOPA; GC-EI-TOF; MS; 4 TMS; BP:73

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR010128

Outputs for DOPA; GC-EI-TOF; MS; 4 TMS; BP:73

Database: Plant Science Center, RIKEN
Entry ID: PR010128
Synonyms: 3,4-Dihydroxy-L-phenylalanine, L-Dopa, Levodopa, L-beta-(3,4-Dihydroxyphenyl)alanine, Dihydroxy-L-phenylalanine, 3-Hydroxy-L-tyrosine, DOPA
Total mass: 197.1875
Formula: H11 C9 O4 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: 202.0,205.0,209.0,217.0,220.0,223.0,237.0,251.0,265.0,268.0,279.0,282.0,291.0,295.0,306.0,353.0,367.0,370.0,380.0,442.0,470.0,485.0,
Replicated queried mass peaks: 61.0, 65.0, 67.0, 71.0, 72.0, 74.0, 75.0, 77.0, 78.0, 83.0, 84.0, 86.0, 87.0, 91.0, 93.0, 97.0, 99.0, 100.0, 102.0, 103.0, 105.0, 116.0, 117.0, 119.0, 120.0, 122.0, 129.0, 130.0, 132.0, 133.0, 135.0, 136.0, 145.0, 146.0, 148.0, 149.0, 151.0, 159.0, 160.0, 162.0, 163.0, 165.0, 166.0, 174.0, 176.0, 177.0, 179.0, 180.0, 182.0, 190.0, 192.0, 193.0, 203.0, 204.0, 207.0, 218.0, 219.0, 221.0, 222.0, 266.0, 267.0, 269.0, 270.0, 280.0, 281.0, 292.0, 354.0, 368.0, 369.0, 371.0, 381.0, 382.0, 443.0, 444.0, 471.0, 472.0,
Processing time: 0:00:03.311237

Results for the quried mass "60.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O1N1	0.075	6	2	C6,C9,N10,O14
C2O2	0.052	4	2	C6,C9,O13,O14
C2O2	0.052	4	2	C7,C8,O11,O12
C5	0.053	0	0	C1,C2,C4,C7,C8
C5	0.053	0	0	C1,C4,C5,C7,C8
C5	0.053	0	0	C1,C3,C5,C6,C9
C5	0.053	0	0	C1,C2,C3,C5,C6
C5	0.053	0	0	C1,C2,C4,C5,C8
C5	0.053	0	0	C1,C2,C3,C5,C7
C5	0.053	0	0	C1,C2,C4,C5,C7
C5	0.053	0	0	C1,C2,C5,C7,C8
C5	0.053	0	0	C1,C3,C4,C5,C8
C5	0.053	0	0	C1,C3,C4,C5,C6
C5	0.053	0	0	C1,C2,C3,C4,C5
C5	0.053	0	0	C2,C4,C5,C7,C8
C5	0.053	0	0	C3,C4,C5,C7,C8
C5	0.053	0	0	C3,C4,C5,C6,C9
C5	0.053	0	0	C3,C4,C5,C6,C8