MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011867
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011867
RECORD_TITLE: (2AR,5AS)-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIKI O, FAC, TECHNOLOGY, OSAKA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (2AR,5AS)-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H14N2O2
CH$EXACT_MASS: 290.10553
CH$SMILES: c(c4)ccc(c4)C(=N3)C([H])(C(=O)1)C([H])(C3)C(=O)N(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H14N2O2/c21-17-14-11-19-16(12-7-3-1-4-8-12)15(14)18(22)20(17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
CH$LINK: INCHIKEY
HLWUBVVHVMJKTP-HUUCEWRRSA-N
AC$INSTRUMENT: Unknown
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: splash10-014l-9830000000-f8e87a6f2d5ed3b72673
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
50 8.1 81
51 24.4 244
52 5.9 59
54 4.9 49
55 2.8 28
62 3.7 37
63 14 140
64 14.7 147
65 9 90
66 2.2 22
67 3.5 35
68 57.2 572
69 3.1 31
75 2.9 29
76 6.3 63
77 39.7 397
78 3.9 39
85 9.2 92
86 9.4 94
89 13.5 135
90 12.2 122
91 15.7 157
93 2 20
103 6.7 67
104 7.3 73
105 2.7 27
114 2.6 26
115 29.6 296
116 18.7 187
117 99.99 999
118 24.7 247
119 8.2 82
130 3.7 37
142 4.8 48
143 35.1 351
144 4.5 45
159 2.3 23
170 6.9 69
171 2.1 21
187 3.2 32
290 91.5 915
291 19.7 197
292 2.3 23
//