ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005468
RECORD_TITLE: (S)-N-TERT-BUTOXYCARBONYL-2-FORMYLPYRROLIDINE; 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$NAME: (S)-N-TERT-BUTOXYCARBONYL-2-FORMYLPYRROLIDINE
CH$NAME: (S)-N-(TERT-BUTOXYCARBONYL)PROLINAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO₃
CH$EXACT_MASS: 199.12084
CH$SMILES: O=CC([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
CH$LINK: INCHIKEY YDBPZCVWPFMBDH-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID20370439

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$SPLASH: splash10-00xr-7900000000-fb08b3b7333478407d28
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  55 1.22 12
  56 2.6 26
  57 35.27 353
  58 1.07 11
  70 89.17 892
  71 1.67 17
  83 0.98 10
  115 99.99 999
  116 6.63 66
  126 2.72 27
  127 1.29 13
  144 3.16 32
  170 43.33 433
  171 3.75 38
  199 0.68 7
  200 0.21 2
//