MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002428
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002428
RECORD_TITLE: (4R)-3-TERT-BUTOXYCARBONYL-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4R)-3-TERT-BUTOXYCARBONYL-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H19NO4S
CH$EXACT_MASS: 261.10348
CH$SMILES: CC(C)(C)OC(=O)N(C(C)(C)1)C([H])(C(O)=O)CS1
CH$IUPAC: InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)6-17-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
CH$LINK: INCHIKEY
MYZNHPUWNUGYOV-ZETCQYMHSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-3910000000-e5be848020c663a15045
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
41 5.9 59
43 12.8 128
56 20.5 205
57 4.2 42
58 13.2 132
59 8.2 82
65 2.7 27
75 0.17 2
83 6.5 65
84 3.1 31
89 7.9 79
99 0.65 7
102 2.3 23
105 2.7 27
114 2.5 25
115 1.38 14
116 11.9 119
119 2.1 21
128 1.7 17
129 0.25 3
146 13.6 136
148 5 50
149 1.9 19
159 0.52 5
160 59.1 591
161 99.99 999
162 2.3 23
188 0.17 2
190 19.3 193
205 5.4 54
216 3.3 33
217 2.5 25
246 31.8 318
261 2.9 29
//