MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008837
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008837
RECORD_TITLE: BIS(4-METHOXYBENZYL) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BIS(4-METHOXYBENZYL) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H18O3
CH$EXACT_MASS: 258.12559
CH$SMILES: COc(c1)ccc(COCc(c2)ccc(OC)c2)c1
CH$IUPAC: InChI=1S/C16H18O3/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14/h3-10H,11-12H2,1-2H3
CH$LINK: INCHIKEY
SDTORDSXCYSNTD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10968884
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$SPLASH: splash10-0a6u-1690000000-c9509a0cc0e7f1846c26
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
41 5.98 60
55 2.16 22
65 4.25 43
76 5.32 53
77 8.14 81
78 3.87 39
79 2.31 23
82 2.38 24
90 3.3 33
91 21.69 217
98 2.93 29
99 2.16 22
113 4.09 41
115 6.16 62
119 4.58 46
121 48.61 486
122 5.06 51
127 2.99 30
128 3.04 30
133 8.58 86
135 13.86 139
139 4.25 43
141 3.63 36
148 4.51 45
149 3.48 35
151 3.1 31
152 11.88 119
153 10.58 106
154 2.53 25
155 2.22 22
165 14.61 146
166 5.08 51
167 3.61 36
168 2.13 21
169 3.17 32
170 2.82 28
178 2.71 27
179 2.73 27
180 3.96 40
181 7.99 80
183 3.92 39
185 4.86 49
193 2.24 22
194 4.97 50
195 14.52 145
196 4.62 46
197 5.76 58
205 2.24 22
209 12.23 122
210 6 60
211 5.02 50
212 0.44 4
213 2.16 22
225 30.66 307
226 10.43 104
227 42.46 425
228 9.86 99
239 2.29 23
241 50.73 507
242 10.78 108
243 2.05 21
256 99.99 999
257 18.61 186
258 2.07 21
//
system version 2.2.6-SNAPSHOT