MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009657
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009657
RECORD_TITLE: ETHYL 3-PHENANTHRYLCARBOXYLATE; 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$NAME: ETHYL 3-PHENANTHRYLCARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14O2
CH$EXACT_MASS: 250.09938
CH$SMILES: CCOC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C17H14O2/c1-2-19-17(18)14-10-9-13-8-7-12-5-3-4-6-15(12)16(13)11-14/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
XGGPWBCYWFCCES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20277338
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$SPLASH: splash10-0zi0-4690000000-5cabad21242ce9b26bc1
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
26 3.7 37
27 19.6 196
28 18.2 182
29 3.01 30
30 1.7 17
32 1 10
38 1.1 11
39 0.2 2
42 1.4 14
43 8.7 87
44 1.1 11
45 1.21 12
50 2.1 21
51 1.7 17
62 1.2 12
63 0.29 3
74 3.3 33
75 4 40
76 1.9 19
77 0.17 2
86 1.4 14
87 3.2 32
88 15.8 158
89 0.75 8
98 1.9 19
99 2.4 24
100 1 10
102 0.12 1
103 5.9 59
111 1 10
125 1.5 15
126 0.34 3
127 1.2 12
139 1.2 12
149 2.8 28
150 1.4 14
151 21.4 214
152 4.5 45
163 1.7 17
164 0.13 1
165 3.2 32
174 6.7 67
175 9.9 99
176 6.06 61
177 66.8 668
178 18.3 183
179 2.8 28
204 0.15 2
205 70.3 703
206 14.5 145
207 1.7 17
222 2.71 27
223 4.7 47
235 3.9 39
249 1.4 14
250 99.99 999
251 19.5 195
252 2.5 25
//