MassBank Record: JP002477



 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) \n

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: 291.14706 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
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 //