ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005513
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-HYDROXYMETHYLPYRROLIDINE; 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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-HYDROXYMETHYLPYRROLIDINE
CH$NAME: (2S)-N-TERT-BUTOXYCARBONYLPROLINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₉NO₃
CH$EXACT_MASS: 201.13649
CH$SMILES: OCC([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
CH$LINK: INCHIKEY BFFLLBPMZCIGRM-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID80349181

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$SPLASH: splash10-00di-9500000000-3f233afbd71f245eb7bd
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  18 6.02 60
  41 5.56 56
  56 16.16 162
  57 13.67 137
  58 2.44 24
  70 99.99 999
  71 2.84 28
  114 27.74 277
  115 10.77 108
  129 6.35 64
  146 1.7 17
  170 37.98 380
  171 8.22 82
  201 0.5 5
//