MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002380
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
//