MassBank Record: JP002477

Home Search Record Index

N-((1R)-PHENYLETHYL)-TRANS-3,4-DI(METHOXYCARBONYL)PYRROLIDINE; EI-B; MS

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

ACCESSION: JP002477
RECORD_TITLE: N-((1R)-PHENYLETHYL)-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$NAME: N-((1R)-PHENYLETHYL)-TRANS-3,4-DI(METHOXYCARBONYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO4
CH$EXACT_MASS: 291.147060000000010404619388282299041748046875
CH$SMILES: COC(=O)C(C1)C(C(=O)OC)CN(CCc(c2)cccc2)1
CH$IUPAC: InChI=1S/C16H21NO4/c1-20-15(18)13-10-17(11-14(13)16(19)21-2)9-8-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
CH$LINK: INCHIKEY RMWZNMIFTKZUCP-UHFFFAOYSA-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$SPLASH: splash10-004i-3590000000-6fdaff56d847524ac8cd
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 4.51 45
  43 2.35 24
  45 1.14 11
  51 2.06 21
  53 2.08 21
  55 1.76 18
  56 5.05 51
  59 3.12 31
  67 1.16 12
  68 5.31 53
  77 9.28 93
  78 2.54 25
  79 8.35 84
  91 9.13 91
  94 1.48 15
  96 1.76 18
  101 1.04 10
  103 5.91 59
  104 4.33 43
  105 56.94 569
  106 6.59 66
  118 3.31 33
  121 2.24 22
  126 2.79 28
  127 2.21 22
  128 1.46 15
  154 7.49 75
  156 4.54 45
  158 2.62 26
  186 2.3 23
  214 16.99 170
  215 2.01 20
  216 1.03 10
  260 10.91 109
  261 2.05 21
  276 99.99 999
  277 17.57 176
  278 2.37 24
  290 1.5 15
  291 3.93 39
//