4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003342

Outputs for 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003342
Synonyms: 4-Methyl-5-thiazoleethanol, 4-Methyl-5-(2'-hydroxyethyl)-thiazole, 5-(2-Hydroxyethyl)-4-methylthiazole, 4-Methyl-5-(2-hydroxyethyl)-thiazole
Total mass: 143.2064
Formula: H9 C6 S1 O1 N1

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: 161.8,
Replicated queried mass peaks: 81.2, 84.0, 84.8, 98.8, 112.5, 114.2, 127.0,
Processing time: 0:00:02.645372

Results for the quried mass "68.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C3S1	0.003	0	0	C2,C4,C6,S9
C3S1	0.003	0	0	C2,C3,C6,S9
C3S1	0.003	0	0	C2,C5,C6,S9
C3S1	0.003	0	0	C4,C5,C6,S9
C3S1	0.003	0	0	C1,C5,C6,S9
C4O1	0.026	4	0	C2,C3,C5,C6,O8
C2S1N1	0.023	2	1	C4,C5,N7,S9
C2S1N1	0.023	2	1	C4,C6,N7,S9
C2S1N1	0.023	2	2	C5,C6,N7,S9