ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002379
RECORD_TITLE: N-BENZYL-TRANS-3,4-DI(METHOXYCARBONYL)PYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-BENZYL-TRANS-3,4-DI(METHOXYCARBONYL)PYRROLIDINE
CH$NAME: DIMETHYL 1-BENZYLPYRROLIDINE-TRANS-3,4-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₄
CH$EXACT_MASS: 277.13141
CH$SMILES: COC(=O)C(C1)C(C(=O)OC)CN(Cc(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13-/m0/s1
CH$LINK: INCHIKEY JSRVVUSBZJFOJO-STQMWFEESA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9410000000-846286801bde4026bd4f
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  42 31.6 316
  43 1.16 12
  44 5.97 60
  45 2.95 30
  51 2.79 28
  53 1.8 18
  55 3.67 37
  59 4.17 42
  63 1.48 15
  65 13.45 135
  66 1.11 11
  67 1.69 17
  68 3.73 37
  73 2.54 25
  77 3.07 31
  79 1.59 16
  80 1.22 12
  82 2.03 20
  87 1.58 16
  89 2.62 26
  90 1.41 14
  91 99.99 999
  92 12.3 123
  99 1.78 18
  104 1.68 17
  105 3.26 33
  106 1.73 17
  118 1.96 20
  120 2.87 29
  126 12.36 124
  127 2.6 26
  131 1.28 13
  132 4.62 46
  133 2.91 29
  154 33.68 337
  155 2.88 29
  158 5.26 53
  159 1.34 13
  176 1.3 13
  186 12.27 123
  187 1.32 13
  190 2.17 22
  191 1.98 20
  200 7.55 76
  216 3.86 39
  218 1.8 18
  221 1.63 16
  222 1.28 13
  244 2.33 23
  246 12.23 122
  247 1.79 18
  262 1.96 20
  276 3.56 36
  277 5.47 55
  278 1.09 11
//