MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002463
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002463
RECORD_TITLE: (4R)-3-(TERT-BUTOXYCARBONYL)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE; 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$NAME: (4R)-3-(TERT-BUTOXYCARBONYL)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE
CH$NAME: TERT-BUTYL (4R)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H21NO3S
CH$EXACT_MASS: 247.12421
CH$SMILES: OCC([H])(C1)N(C(=O)OC(C)(C)C)C(C)(C)S1
CH$IUPAC: InChI=1S/C11H21NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h8,13H,6-7H2,1-5H3/t8-/m1/s1
CH$LINK: INCHIKEY
SCBRLOVJYLTKIS-MRVPVSSYSA-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$SPLASH: splash10-066r-9660000000-c658cd73c64d26b23ebc
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
41 16.8 168
42 6.7 67
56 93.6 936
57 6.4 64
58 46.4 464
59 4.1 41
72 3.7 37
82 0.25 3
83 8.3 83
84 3.1 31
90 7.2 72
95 0.22 2
99 4.8 48
100 10.4 104
101 4.8 48
102 0.21 2
103 4.2 42
111 2.8 28
113 2.8 28
114 1.12 11
115 2.5 25
116 48 480
118 4.2 42
132 1.6 16
145 9.3 93
147 2.4 24
160 21.6 216
173 0.24 2
174 2.1 21
176 15.2 152
177 2.4 24
216 99.99 999
217 13.6 136
218 3.2 32
232 13.6 136
233 0.17 2
247 10.3 103
//