MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005469
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005469
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-(1,4-DIMETHANESULFONYLOXYBUTYL)PYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(1,4-DIMETHANESULFONYLOXYBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H29NO8S2
CH$EXACT_MASS: 415.13346
CH$SMILES: CC(C)(C)OC(=O)N(C1)C([H])(CC1)C(CCCOS(C)(=O)=O)OS(C)(=O)=O
CH$IUPAC: InChI=1S/C15H29NO8S2/c1-15(2,3)23-14(17)16-10-6-8-12(16)13(24-26(5,20)21)9-7-11-22-25(4,18)19/h12-13H,6-11H2,1-5H3/t12-,13?/m0/s1
CH$LINK: INCHIKEY
OCKVMNKHRCFGTJ-UEWDXFNNSA-N
AC$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 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-8900000000-3b9fc4e4acfa928e41ec
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
55 1.3 13
56 77.9 779
57 8.6 86
59 0.12 1
69 2.5 25
70 27.6 276
71 2.1 21
96 0.65 7
97 1 10
114 16.1 161
115 2.2 22
122 0.1 1
123 1.4 14
124 1 10
137 2.5 25
140 1.1 11
141 1.1 11
167 1.6 16
168 2.4 24
169 0.1 1
170 99.99 999
171 1 10
184 5.5 55
219 0.58 6
220 2.2 22
236 2 20
263 1.5 15
264 0.76 8
265 1 10
316 1.4 14
336 1.8 18
342 0.29 3
360 4.5 45
415 1.4 14
//
system version 2.2.6-SNAPSHOT