MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009667
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009667
RECORD_TITLE: METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H16O
CH$EXACT_MASS: 248.12012
CH$SMILES: CC(=O)c(c4)cc(C3)c(c14)c(c2C3)c(ccc2)CC1
CH$IUPAC: InChI=1S/C18H16O/c1-11(19)16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-4,9-10H,5-8H2,1H3
CH$LINK: INCHIKEY
INKIBYZEUXUPPA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00232001
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-000t-0190000000-0cfe72c2a12a713cd66f
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
43 21.3 213
44 1.6 16
76 1.5 15
88 0.24 2
89 3 30
95 2.1 21
100 2 20
101 0.84 8
102 1.7 17
103 2 20
109 1.8 18
110 0.23 2
115 1.7 17
116 2.4 24
117 1.9 19
150 0.16 2
151 1.8 18
152 2.4 24
163 1.7 17
164 0.13 1
165 5.8 58
166 1 10
175 1 10
176 0.27 3
177 1.5 15
178 3.7 37
179 1.2 12
187 0.12 1
188 1.1 11
189 16.9 169
190 15.5 155
191 0.3 3
200 6.6 66
201 6.8 68
202 31.3 313
203 2.55 26
204 7.7 77
205 18.6 186
206 3.7 37
219 0.16 2
231 2.4 24
233 93.7 937
234 18 180
235 0.18 2
246 1.8 18
248 99.99 999
249 19.9 199
250 2.2 22
//
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