MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010399
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010399
RECORD_TITLE: 9-FLUORENEACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 9-FLUORENEACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: OC(=O)CC(c21)c(c3)c(ccc3)c(cccc2)1
CH$IUPAC: InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
CH$LINK: INCHIKEY
WFSMJMTYIMFHPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50212015
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01di-5930000000-28d65a3d974fbf835204
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
41 4 40
42 4 40
43 16 160
44 0.4 4
45 6 60
55 7 70
56 7 70
57 1.4 14
58 6 60
59 3 30
60 10 100
61 0.2 2
67 2 20
68 3 30
69 17 170
70 0.7 7
71 11 110
72 2 20
73 7 70
74 0.2 2
81 13 130
82 4 40
83 6 60
84 0.6 6
85 6 60
86 1 10
87 2 20
91 0.9 9
92 2 20
93 2 20
94 2 20
95 0.4 4
96 4 40
97 6 60
98 4 40
99 0.3 3
100 1 10
105 1 10
109 4 40
110 0.1 1
111 4 40
112 2 20
113 1 10
119 0.1 1
121 4 40
123 3 30
124 1 10
125 0.1 1
129 3 30
136 2 20
137 4 40
149 0.6 6
151 4 40
165 99.99 999
166 18 180
167 0.3 3
177 3 30
178 80 800
179 26 260
180 0.5 5
181 4 40
195 3 30
224 95 950
225 1.6 16
226 2 20
//