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Submission id: KO004193

Outputs for Thiamine monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO004193
Synonyms: Thiamine monophosphate, Thiamin phosphate, Thiamine phosphate, Thiamin monophosphate, TMP
Total mass: 345.3338
Formula: C12 H18 O4 N4 P1 S1

Experimental information


MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 81.1, 122.2,
Processing time: 0:00:04.772711

Results for the quried mass "126.1"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C4O1P1S1 0.027 1 0 C3,C4,C7,C11,O20,P21,S22
C4O1P1S1 0.027 1 0 C3,C4,C8,C11,O20,P21,S22
C8N2 0.015 2 0 C3,C4,C5,C6,C8,C9,C10,C11,N14,N16
C8N2 0.015 2 0 C3,C4,C6,C8,C9,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C5,C6,C8,C9,C10,C11,C12,N14,N16
C8N2 0.015 2 0 C3,C5,C6,C7,C8,C9,C10,C11,N14,N16
C8N2 0.015 2 0 C3,C5,C6,C8,C9,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C6,C7,C8,C9,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C4,C5,C6,C8,C10,C11,C12,N13,N16
C8N2 0.015 2 0 C3,C4,C5,C6,C8,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C4,C5,C6,C8,C10,C11,C12,N14,N16
C8N2 0.015 2 0 C3,C4,C5,C6,C7,C8,C10,C11,N14,N16
C8N2 0.015 2 0 C3,C4,C6,C7,C8,C10,C11,C12,N13,N16
C8N2 0.015 2 0 C3,C4,C6,C7,C8,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C5,C6,C7,C8,C10,C11,C12,N13,N16
C8N2 0.015 2 0 C3,C5,C6,C7,C8,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C3,C5,C6,C7,C8,C10,C11,C12,N14,N16
C8N2 0.015 2 0 C5,C6,C7,C8,C9,C10,C11,C12,N15,N16
C8N2 0.015 2 0 C5,C6,C7,C8,C9,C10,C11,C12,N14,N16
C8N2 0.015 2 0 C1,C5,C6,C8,C9,C10,C11,C12,N14,N16
C8N2 0.015 2 0 C2,C5,C6,C8,C9,C10,C11,C12,N14,N16
C5N2S1 0.079 6 2 C5,C6,C7,C10,C11,N14,N16,S22
C5N2S1 0.079 6 2 C5,C6,C7,C9,C10,N14,N16,S22
C5N2S1 0.079 6 1 C5,C6,C7,C10,C12,N13,N16,S22
C5N2S1 0.079 6 1 C5,C6,C7,C10,C12,N15,N16,S22
C5N2S1 0.079 6 2 C5,C6,C7,C8,C10,N14,N16,S22
C5N2S1 0.079 6 2 C5,C6,C7,C10,C12,N14,N16,S22
C5N2S1 0.079 6 2 C6,C7,C10,C11,C12,N13,N16,S22
C5N2S1 0.079 6 2 C6,C7,C10,C11,C12,N15,N16,S22
C5N2S1 0.079 6 2 C6,C7,C9,C10,C12,N15,N16,S22
C5N2S1 0.079 6 2 C6,C7,C8,C10,C12,N13,N16,S22
C5N2S1 0.079 6 2 C6,C7,C8,C10,C12,N15,N16,S22
C4N3S1 0.060 4 0 C6,C7,C10,C12,N13,N15,N16,S22
C6N4 0.025 2 0 C5,C6,C7,C9,C10,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C5,C6,C8,C9,C10,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C5,C6,C8,C10,C11,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C6,C8,C9,C10,C11,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C6,C7,C8,C9,C10,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C1,C6,C8,C9,C10,C12,N13,N14,N15,N16
C6N4 0.025 2 0 C2,C5,C6,C9,C10,C12,N13,N14,N15,N16
C7N3 0.005 0 0 C3,C6,C8,C9,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C3,C5,C6,C8,C9,C10,C11,N14,N15,N16
C7N3 0.005 0 0 C3,C5,C6,C8,C10,C11,C12,N13,N14,N16
C7N3 0.005 0 0 C3,C5,C6,C8,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C3,C6,C8,C9,C10,C11,C12,N13,N15,N16
C7N3 0.005 0 0 C3,C4,C6,C8,C10,C11,C12,N13,N15,N16
C7N3 0.005 0 0 C5,C6,C8,C9,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C5,C6,C7,C8,C9,C10,C12,N14,N15,N16
C7N3 0.005 0 0 C5,C6,C7,C8,C9,C10,C11,N14,N15,N16
C7N3 0.005 0 0 C5,C6,C8,C9,C10,C11,C12,N13,N14,N16
C7N3 0.005 0 0 C5,C6,C8,C9,C10,C11,C12,N13,N15,N16
C7N3 0.005 0 0 C6,C7,C8,C9,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C5,C6,C7,C8,C9,C10,C12,N13,N14,N16
C7N3 0.005 0 0 C1,C5,C6,C8,C9,C10,C12,N14,N15,N16
C7N3 0.005 0 0 C1,C5,C6,C8,C9,C10,C12,N13,N14,N16
C7N3 0.005 0 0 C1,C5,C6,C8,C9,C10,C11,N14,N15,N16
C7N3 0.005 0 0 C1,C6,C8,C9,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C2,C6,C8,C9,C10,C11,C12,N13,N15,N16
C7N3 0.005 0 0 C2,C6,C8,C9,C10,C11,C12,N14,N15,N16
C7N3 0.005 0 0 C2,C5,C6,C8,C9,C10,C11,N14,N15,N16
C4O2N1P1 0.070 1 0 C3,C4,C8,C11,N16,O17,O20,P21
C4O2N1P1 0.070 1 0 C3,C4,C8,C11,N16,O18,O20,P21
C4O2N1P1 0.070 1 0 C3,C4,C8,C11,N16,O19,O20,P21
C8O1N1 0.008 0 0 C3,C4,C5,C6,C7,C8,C10,C11,N16,O20
C8O1N1 0.008 0 0 C3,C4,C6,C7,C8,C10,C11,C12,N16,O20
C8O1N1 0.008 0 0 C3,C4,C5,C6,C8,C10,C11,C12,N16,O20
C8O1N1 0.008 0 0 C1,C3,C4,C6,C8,C10,C11,C12,N16,O20
C6N1S1 0.099 8 2 C3,C5,C6,C7,C10,C11,N16,S22
C6N1S1 0.099 8 1 C3,C4,C6,C7,C10,C11,N16,S22
C6N1S1 0.099 8 2 C3,C4,C6,C8,C10,C11,N16,S22
C6N1S1 0.099 8 1 C3,C4,C6,C7,C8,C11,N16,S22
C6N1S1 0.099 8 2 C1,C6,C7,C8,C10,C11,N16,S22
C6N1S1 0.099 8 2 C1,C6,C7,C8,C10,C12,N16,S22
C7O1N2 0.028 2 0 C3,C4,C5,C6,C8,C10,C11,N14,N16,O20
C7O1N2 0.028 2 0 C3,C4,C6,C8,C10,C11,C12,N13,N16,O20
C7O1N2 0.028 2 0 C3,C4,C6,C8,C10,C11,C12,N15,N16,O20
C4O3P1 0.093 1 0 C3,C4,C8,C11,O17,O18,O20,P21
C4O3P1 0.093 1 0 C3,C4,C8,C11,O17,O19,O20,P21
C4O3P1 0.093 1 0 C3,C4,C8,C11,O18,O19,O20,P21
C5O1N1P1 0.027 5 0 C3,C4,C6,C8,C11,N16,O20,P21
C5O1N1P1 0.027 5 0 C3,C4,C7,C8,C11,N16,O20,P21
C5O1N1P1 0.027 5 0 C1,C3,C4,C8,C11,N16,O20,P21
C5O2P1 0.050 3 0 C1,C3,C4,C8,C11,O17,O20,P21
C5O2P1 0.050 3 0 C1,C3,C4,C8,C11,O18,O20,P21
C5O2P1 0.050 3 0 C1,C3,C4,C8,C11,O19,O20,P21
C5O1N1S1 0.056 4 0 C3,C4,C6,C7,C11,N16,O20,S22
C5O1N1S1 0.056 4 0 C3,C4,C7,C8,C11,N16,O20,S22
C5O1N1S1 0.056 4 0 C3,C4,C6,C8,C11,N16,O20,S22
C5O1N1S1 0.056 4 0 C1,C3,C4,C8,C11,N16,O20,S22
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