MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010192
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010192
RECORD_TITLE: 5-PHENYL-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE; 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$NAME: 5-PHENYL-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18N2O2
CH$EXACT_MASS: 306.13683
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)1)C(=O)C(C2)C(CN(c(c3)cccc3)2)1
CH$IUPAC: InChI=1S/C19H18N2O2/c1-13-7-9-15(10-8-13)21-18(22)16-11-20(12-17(16)19(21)23)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
CH$LINK: INCHIKEY
KFDVATXTXXLVRY-UHFFFAOYSA-N
AC$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: splash10-0a4l-6904000000-1433aaf278a9167db356
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
39 13.08 131
41 8.04 80
51 15.07 151
52 4.66 47
56 5.45 55
65 6.27 63
68 7.23 72
77 45.5 455
78 10.73 107
91 62 620
92 6.11 61
104 36.34 363
105 26.35 264
106 6.81 68
115 8.03 80
117 9.8 98
118 6.4 64
119 37.26 373
120 5.02 50
132 8.48 85
133 7.89 79
143 9.41 94
144 74.78 748
145 14.26 143
146 5.02 50
172 6.62 66
215 6.29 63
305 14.52 145
306 99.99 999
307 20.23 202
//