MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009608
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009608
RECORD_TITLE: METHYL 3-PHENANTHRYL 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$NAME: METHYL 3-PHENANTHRYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
CH$LINK: INCHIKEY
JKVNPRNAHRHQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9049243
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$SPLASH: splash10-056r-2960000000-7a779159d62e72607d5a
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
29 2 20
39 1 10
40 2.1 21
43 1.5 15
44 12 120
51 1.9 19
63 2.5 25
74 0.23 2
75 5 50
76 1.8 18
77 1.8 18
87 0.27 3
88 16.7 167
89 6.9 69
95 1.2 12
96 0.3 3
98 1.3 13
99 1.7 17
100 1 10
101 0.1 1
103 4.9 49
110 1.2 12
125 1 10
126 0.27 3
149 2.2 22
150 12.4 124
151 21 210
152 0.4 4
163 1.1 11
165 1.5 15
174 5 50
175 0.74 7
176 51.4 514
177 64.6 646
178 10.9 109
179 0.11 1
187 1.1 11
189 4.8 48
190 1.8 18
191 0.22 2
205 99.99 999
206 16.7 167
207 1.8 18
220 7.17 72
221 13.1 131
222 1.8 18
//
system version 2.2.8-SNAPSHOT