ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005464
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-(1-HYDROXY-4-(2-TETRAHYDROPYRANYLOXY)BUTYL)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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(1-HYDROXY-4-(2-TETRAHYDROPYRANYLOXY)BUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₃NO₅
CH$EXACT_MASS: 343.23587
CH$SMILES: C(C2)COC(C2)OCCCC(O)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C18H33NO5/c1-18(2,3)24-17(21)19-11-6-8-14(19)15(20)9-7-13-23-16-10-4-5-12-22-16/h14-16,20H,4-13H2,1-3H3/t14-,15?,16?/m0/s1
CH$LINK: INCHIKEY NKMQNPYMOPGXEE-FHERZECASA-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$SPLASH: splash10-01b9-1910000000-9772fea732df710af5c3
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  56 1.8 18
  57 8.1 81
  69 1.9 19
  70 2.39 24
  71 4.2 42
  84 2 20
  85 26.8 268
  97 0.11 1
  100 1.3 13
  113 1 10
  114 13.3 133
  115 99.99 999
  116 1 10
  117 1 10
  126 1.3 13
  140 0.16 2
  141 1.5 15
  142 11.5 115
  143 1.7 17
  144 0.55 6
  155 3.7 37
  160 1.9 19
  168 2 20
  169 0.48 5
  170 40.7 407
  171 32.6 326
  172 11.6 116
  173 0.24 2
  185 19 190
  186 2.6 26
  187 8.3 83
  188 0.27 3
  200 4.3 43
  201 1.7 17
  204 2.6 26
  214 1.04 10
  241 1.6 16
  242 4.7 47
  256 20 200
  257 0.17 2
  261 6.3 63
  343 5.2 52
  344 1 10
//