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Submission id: PR100204

Outputs for Thiamine monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+


Database: Plant Science Center, RIKEN
Entry ID: PR100204
Synonyms: Thiamine monophosphate, TMP, Thiamine-P, Vitamin B1 phosphate, Aneurine monophosphate
Total mass: 345.3338
Formula: C12 H18 O4 N4 P1 S1

Experimental information


MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.737670

Results for the quried mass "122.0721"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C5N2S1 0.076 2 0 C5,C6,C7,C10,C11,N14,N16,S22
C5N2S1 0.076 2 0 C5,C6,C7,C9,C10,N14,N16,S22
C5N2S1 0.076 2 0 C5,C6,C7,C10,C12,N13,N16,S22
C5N2S1 0.076 2 0 C5,C6,C7,C10,C12,N15,N16,S22
C5N2S1 0.076 2 0 C5,C6,C8,C10,C11,N14,N16,S22
C5N2S1 0.076 2 0 C5,C6,C7,C8,C10,N14,N16,S22
C5N2S1 0.076 2 0 C5,C6,C7,C10,C12,N14,N16,S22
C5N2S1 0.076 2 0 C6,C7,C10,C11,C12,N13,N16,S22
C5N2S1 0.076 2 0 C6,C7,C10,C11,C12,N15,N16,S22
C5N2S1 0.076 2 0 C6,C7,C9,C10,C12,N15,N16,S22
C5N2S1 0.076 2 0 C6,C8,C10,C11,C12,N13,N16,S22
C5N2S1 0.076 2 0 C6,C8,C10,C11,C12,N15,N16,S22
C5N2S1 0.076 2 0 C6,C7,C8,C10,C12,N13,N16,S22
C5N2S1 0.076 2 0 C6,C7,C8,C10,C12,N15,N16,S22
C4N3S1 0.056 0 0 C6,C7,C10,C12,N13,N15,N16,S22
C6N3 0.075 8 2 C3,C6,C8,C10,C11,C12,N13,N15,N16
C6N3 0.075 8 2 C5,C6,C7,C9,C10,C12,N13,N15,N16
C6N3 0.075 8 2 C5,C6,C7,C8,C10,C12,N13,N15,N16
C6N3 0.075 8 1 C1,C5,C6,C8,C9,C10,N14,N15,N16
C6N3 0.075 8 2 C1,C6,C8,C9,C10,C12,N14,N15,N16
C6N3 0.075 8 1 C1,C5,C6,C8,C10,C12,N13,N14,N16
C6N3 0.075 8 1 C1,C5,C6,C8,C10,C12,N14,N15,N16
C6N3 0.075 8 1 C1,C6,C8,C9,C10,C12,N13,N15,N16
C6N3 0.075 8 1 C1,C6,C8,C10,C11,C12,N13,N15,N16
C6N3 0.075 8 1 C2,C5,C6,C9,C10,C12,N13,N14,N16
C6N3 0.075 8 1 C2,C5,C6,C9,C10,C12,N14,N15,N16
C6N1S1 0.095 4 0 C3,C5,C6,C7,C10,C11,N16,S22
C6N1S1 0.095 4 0 C3,C6,C7,C10,C11,C12,N16,S22
C6N1S1 0.095 4 0 C3,C4,C6,C7,C10,C11,N16,S22
C6N1S1 0.095 4 0 C3,C5,C6,C8,C10,C11,N16,S22
C6N1S1 0.095 4 0 C3,C6,C7,C8,C10,C11,N16,S22
C6N1S1 0.095 4 0 C3,C6,C8,C10,C11,C12,N16,S22
C6N1S1 0.095 4 0 C3,C4,C6,C8,C10,C11,N16,S22
C6N1S1 0.095 4 0 C3,C4,C6,C7,C8,C11,N16,S22
C6N1S1 0.095 4 0 C5,C6,C7,C8,C10,C11,N16,S22
C6N1S1 0.095 4 0 C5,C6,C7,C10,C11,C12,N16,S22
C6N1S1 0.095 4 1 C5,C6,C8,C10,C11,C12,N16,S22
C6N1S1 0.095 4 0 C5,C6,C7,C8,C10,C12,N16,S22
C6N1S1 0.095 4 1 C6,C7,C8,C10,C11,C12,N16,S22
C6N1S1 0.095 4 0 C1,C6,C7,C8,C10,C11,N16,S22
C6N1S1 0.095 4 0 C1,C6,C7,C8,C10,C12,N16,S22
C6N1S1 0.095 4 0 C1,C6,C8,C10,C11,C12,N16,S22
C3O3P1 0.013 7 1 C3,C4,C11,O17,O18,O20,P21
C2O4P1 0.056 3 0 C3,C4,O17,O18,O19,O20,P21
C5O1N1P1 0.031 1 0 C3,C4,C6,C8,C11,N16,O20,P21
C5O1N1P1 0.031 1 0 C3,C4,C7,C8,C11,N16,O20,P21
C5O1N1P1 0.031 1 0 C1,C3,C4,C8,C11,N16,O20,P21
C7O1N1 0.072 8 1 C3,C4,C5,C6,C8,C10,C11,N16,O20
C7O1N1 0.072 8 2 C3,C4,C6,C8,C10,C11,C12,N16,O20
C7O1N1 0.072 8 1 C3,C4,C6,C7,C8,C10,C11,N16,O20
C7O1N1 0.072 8 0 C1,C3,C4,C6,C8,C10,C11,N16,O20
C5O2P1 0.054 1 0 C1,C3,C4,C8,C11,O17,O20,P21
C5O2P1 0.054 1 0 C1,C3,C4,C8,C11,O18,O20,P21
C5O2P1 0.054 1 0 C1,C3,C4,C8,C11,O19,O20,P21
C5N4 0.056 6 1 C5,C6,C9,C10,C12,N13,N14,N15,N16
C5N4 0.056 6 0 C5,C6,C7,C10,C12,N13,N14,N15,N16
C5N4 0.056 6 1 C5,C6,C8,C10,C12,N13,N14,N15,N16
C5N4 0.056 6 1 C6,C7,C9,C10,C12,N13,N14,N15,N16
C5N4 0.056 6 2 C6,C8,C9,C10,C12,N13,N14,N15,N16
C5N4 0.056 6 0 C2,C6,C9,C10,C12,N13,N14,N15,N16
C5O1N1S1 0.052 0 0 C3,C4,C6,C7,C11,N16,O20,S22
C5O1N1S1 0.052 0 0 C3,C4,C7,C8,C11,N16,O20,S22
C5O1N1S1 0.052 0 0 C3,C4,C6,C8,C11,N16,O20,S22
C5O1N1S1 0.052 0 0 C1,C3,C4,C8,C11,N16,O20,S22
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