Thiamine monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO004191

Outputs for Thiamine monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO004191
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: 220.0, 225.2, 310.5, 346.4,
Processing time: 0:00:04.242932

Results for the quried mass "309.6"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C12O3N4P1S1	0.424	2	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,O18,O19,O20,P21,S22
C12O3N4P1S1	0.424	2	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,O17,O19,O20,P21,S22
C12O3N4P1S1	0.424	2	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,O17,O18,O20,P21,S22
C12O4N4P1	0.363	14	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,N13,N14,N15,N16,O17,O18,O19,O20,P21