ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005465
RECORD_TITLE: N-TERT-BUTOXYCARBONYL-2-(1,4-DIHYDROXYBUTYL)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$NAME: N-TERT-BUTOXYCARBONYL-2-(1,4-DIHYDROXYBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₅NO₄
CH$EXACT_MASS: 259.17836
CH$SMILES: OCCCC(O)C(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-8-4-6-10(14)11(16)7-5-9-15/h10-11,15-16H,4-9H2,1-3H3
CH$LINK: INCHIKEY QKLLJTULFSLJDL-UHFFFAOYSA-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$SPLASH: splash10-03k9-2900000000-b25923321d854cb2ccab
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  42 1.1 11
  56 11.4 114
  57 6.9 69
  69 0.25 3
  70 27.6 276
  71 1.5 15
  83 1.2 12
  97 0.18 2
  98 1 10
  100 1 10
  111 1 10
  113 1.43 14
  114 99.99 999
  115 9.4 94
  116 1.7 17
  117 0.13 1
  121 27.3 273
  123 2.7 27
  124 1 10
  139 0.22 2
  140 1.1 11
  141 1.4 14
  142 4.9 49
  144 0.31 3
  160 4.5 45
  169 1.8 18
  170 40.7 407
  171 3.5 35
  172 4.6 46
  173 2.5 25
  184 1 10
  185 0.34 3
  197 1.7 17
  204 6.9 69
  205 1 10
  241 0.23 2
  259 5.9 59
  260 1 10
//