MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001609
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001609
RECORD_TITLE: INDENO(1,2,3-CD)PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: INDENO(1,2,3-CD)PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H12
CH$EXACT_MASS: 276.09390
CH$SMILES: c(c6)cc(c(c6)5)c(c4)c(c15)c(c3c4)c(c2cc3)c(ccc2)c1
CH$IUPAC: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
CH$LINK: CAS
193-39-5
CH$LINK: INCHIKEY
SXQBHARYMNFBPS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8024153
AC$INSTRUMENT: VARIAN MAT-44
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: splash10-004r-3980000000-4d0e178850db13903033
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
45 2.02 20
54 1.44 14
55 10.4 104
56 3.17 32
57 10.11 101
59 1.73 17
60 2.89 29
63 1.15 12
67 2.6 26
68 1.44 14
69 7.8 78
70 1.73 17
71 3.46 35
73 2.6 26
81 2.89 29
82 1.15 12
83 3.46 35
84 1.44 14
85 1.73 17
87 1.15 12
91 2.6 26
92 4.91 49
95 1.15 12
97 1.44 14
98 1.73 17
99 2.02 20
111 4.62 46
112 6.35 64
113 5.2 52
123 6.35 64
124 17.05 171
125 19.65 197
126 2.31 23
135 5.2 52
136 23.98 240
137 49.13 491
138 60.4 604
139 4.04 40
224 1.15 12
246 1.15 12
248 2.89 29
249 1.44 14
250 2.31 23
252 3.46 35
272 5.49 55
273 5.2 52
274 23.12 231
275 16.18 162
276 99.99 999
277 25.14 251
278 6.35 64
//