MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010284
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010284
RECORD_TITLE: METHYL 5-ETHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (4,5-CIS); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 5-ETHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (4,5-CIS)
CH$NAME: METHYL (4R,5S)-5-ETHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H17NO2
CH$EXACT_MASS: 231.12593
CH$SMILES: COC(=O)C(C1)C(CC)N=C1c(c2)cccc2
CH$IUPAC: InChI=1S/C14H17NO2/c1-3-12-11(14(16)17-2)9-13(15-12)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12-/m1/s1
CH$LINK: INCHIKEY
DUSYLALIIZPQHE-VXGBXAGGSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0uyl-6900000000-99f190eb3c9d16c579b1
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
39 53.08 531
40 10.24 102
41 49.07 491
42 13.15 132
50 13.37 134
51 36.97 370
52 9.92 99
53 13.27 133
54 10.34 103
55 29.14 291
59 20.53 205
63 16.56 166
65 11.15 112
69 8.91 89
76 18.07 181
77 61.74 617
78 11.62 116
89 21.4 214
91 26.23 262
103 34.31 343
104 97.45 975
105 13.64 136
115 91.8 918
116 32.66 327
117 24.09 241
130 99.99 999
131 18.06 181
142 16.73 167
143 47.27 473
144 26.99 270
145 19.35 194
147 3.76 38
148 2.85 29
154 1.58 16
156 11.31 113
157 2.96 30
158 4.35 44
159 2.92 29
161 1.83 18
170 11.92 119
171 6.09 61
172 24.84 248
173 3.52 35
174 2.1 21
200 1.36 14
202 10.32 103
203 4.05 41
216 6.6 66
231 4.35 44
232 1.38 14
//