MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002387
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002387
RECORD_TITLE: N-BENZYL-TRANS-(3-ACETYL-4-PHENYL)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$NAME: N-BENZYL-TRANS-(3-ACETYL-4-PHENYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21NO
CH$EXACT_MASS: 279.16231
CH$SMILES: CC(=O)C(C2)C(CN(Cc(c3)cccc3)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H21NO/c1-15(21)18-13-20(12-16-8-4-2-5-9-16)14-19(18)17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3/t18-,19-/m1/s1
CH$LINK: INCHIKEY
XUMMZAHZYIBFES-RTBURBONSA-N
AC$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: splash10-0006-9710000000-923c9c0d72935fbd3af2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
42 63.42 634
43 19.33 193
51 4.33 43
65 15.26 153
77 5.47 55
91 99.99 999
92 8.84 88
104 5.74 57
105 3.41 34
115 10.8 108
116 4.21 42
117 50.67 507
118 7.96 80
132 16.18 162
133 11.31 113
144 4.11 41
158 3.41 34
160 8.3 83
175 32.46 325
176 4.67 47
188 8.69 87
209 14.46 145
260 3.63 36
279 18.48 185
280 3.94 39
//
system version 2.2.8-SNAPSHOT