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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002380

N-BENZYL-CIS-3,4-DI(METHOXYCARBONYL)PYRR0LIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002380
RECORD_TITLE: N-BENZYL-CIS-3,4-DI(METHOXYCARBONYL)PYRR0LIDINE; 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$NAME: N-BENZYL-CIS-3,4-DI(METHOXYCARBONYL)PYRR0LIDINE
CH$NAME: DIMETHYL 1-BENZYLPYRROLIDINE-CIS-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$IUPAC: InChI=1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+
CH$LINK: INCHIKEY JSRVVUSBZJFOJO-BETUJISGSA-N
CH$LINK: COMPTOX DTXSID50450596

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$SPLASH: splash10-0006-9730000000-c90d18d651000b25421b
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  42 20.04 200
  44 5.55 56
  45 2.88 29
  55 3.27 33
  59 3.38 34
  65 10.83 108
  68 4.89 49
  73 2.83 28
  77 2.35 24
  82 2.28 23
  87 2.62 26
  91 99.99 999
  92 11.66 117
  105 2.63 26
  118 2.23 22
  120 2.74 27
  126 6.4 64
  127 4.13 41
  132 6.12 61
  133 2.6 26
  154 12.89 129
  158 9.39 94
  159 3.53 35
  176 3.55 36
  180 9.18 92
  186 59.4 594
  187 5.66 57
  191 11.54 115
  200 9.13 91
  216 4.17 42
  217 2.21 22
  218 3.75 38
  246 23.73 237
  247 3.76 38
  262 3.08 31
  276 5.95 60
  277 11.94 119
  278 2.22 22
//

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