Thiamine monophosphate; LC-ESI-IT; MS2; m/z: 345; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO009297

Outputs for Thiamine monophosphate; LC-ESI-IT; MS2; m/z: 345; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009297
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: LC/MSD Trap XCT, Agilent Technologies
Instrument type: LC-ESI-IT
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 98.0, 122.1, 124.1, 127.1, 206.9, 220.0, 224.0, 225.1, 231.2, 247.1, 328.1, 329.2, 344.2, 345.1,
Processing time: 0:00:05.739573

Results for the quried mass "175.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C9N4	0.210	11	0	C1,C2,C5,C6,C7,C8,C9,C10,C12,N13,N14,N15,N16
C4O4P1S1	0.079	0	0	C3,C4,C7,C11,O17,O18,O19,O20,P21,S22
C7N4S1	0.190	3	0	C2,C5,C6,C7,C9,C10,C12,N13,N14,N15,N16,S22