MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004584
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004584
RECORD_TITLE: ETHYL 2-METHOXY-6-PENTADECYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-METHOXY-6-PENTADECYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H42O3
CH$EXACT_MASS: 390.31340
CH$SMILES: CCCCCCCCCCCCCCCc(c1)c(C(=O)OCC)c(OC)cc1
CH$IUPAC: InChI=1S/C25H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(27-3)24(22)25(26)28-5-2/h18,20-21H,4-17,19H2,1-3H3
CH$LINK: INCHIKEY
SQFAYXIKUHVPRT-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-03dl-2901000000-3f13d6f68bfb07c5ca58
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
39 2.29 23
41 17.66 177
42 2.65 27
43 26.7 267
55 14.64 146
57 9.61 96
67 2.63 26
69 6.45 65
71 2.29 23
77 4.77 48
78 2.16 22
79 3.52 35
81 2.02 20
83 2.62 26
90 4 40
91 9.31 93
103 2.82 28
105 4.74 47
107 3.13 31
115 2.34 23
119 2.02 20
121 29.3 293
122 9.69 97
131 2.18 22
132 2.39 24
133 4.01 40
134 3.75 38
135 7.65 77
146 4.2 42
147 10.68 107
148 16.41 164
149 8.17 82
150 6.09 61
159 4.25 43
160 3.59 36
161 99.99 999
162 24.98 250
163 10.1 101
165 9.73 97
174 2.3 23
175 19.14 191
176 7.6 76
177 3.75 38
179 3.87 39
189 4.01 40
190 4.51 45
193 9.26 93
194 36.71 367
195 4.87 49
203 3.25 33
204 3.87 39
207 10.05 101
217 2.74 27
344 2.93 29
345 34.47 345
346 9.46 95
390 24.15 242
391 7.07 71
//