MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009601
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009601
RECORD_TITLE: 9-ANTHRYL METHYL 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$NAME: 9-ANTHRYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
CH$LINK: INCHIKEY
NXXNVJDXUHMAHU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90229061
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$SPLASH: splash10-056r-3960000000-64db6bc268e501fca77a
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
27 3 30
28 5.3 53
32 1.2 12
39 0.27 3
42 2.7 27
43 31.9 319
44 1 10
50 0.18 2
51 2.1 21
62 1.3 13
63 3.1 31
74 0.24 2
75 3.9 39
76 1.8 18
77 1.3 13
86 0.11 1
87 2.8 28
88 8.8 88
89 4.8 48
95 0.17 2
96 1.7 17
98 1.7 17
99 1.9 19
100 0.14 1
101 2.2 22
103 1.6 16
110 3.8 38
111 0.1 1
125 1.1 11
126 2.9 29
127 1.3 13
139 0.15 2
149 2.3 23
150 13.9 139
151 19.8 198
152 0.47 5
163 2.3 23
164 1 10
165 3.4 34
174 0.64 6
175 9.5 95
176 58.7 587
177 68.8 688
178 1.88 19
179 3.2 32
187 1.8 18
188 1.3 13
189 0.79 8
190 2.7 27
191 5.3 53
192 3.8 38
200 0.13 1
202 1.8 18
203 1.1 11
204 1 10
205 99.99 999
206 16.8 168
207 1.5 15
219 4.7 47
220 7.98 80
221 14 140
222 1.6 16
//
system version 2.2.8-SNAPSHOT