MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005137
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005137
RECORD_TITLE: METHYL 3-PHENYL-2-(3,4-DIMETHOXYPHENYL)PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 3-PHENYL-2-(3,4-DIMETHOXYPHENYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H20O4
CH$EXACT_MASS: 300.13616
CH$SMILES: COC(=O)C(Cc(c2)cccc2)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C18H20O4/c1-20-16-10-9-14(12-17(16)21-2)15(18(19)22-3)11-13-7-5-4-6-8-13/h4-10,12,15H,11H2,1-3H3
CH$LINK: INCHIKEY
PTHKYMVDSUZYTR-UHFFFAOYSA-N
AC$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: splash10-0a4i-2492000000-f272a500bdd26cf331f2
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
39 0.91 9
43 0.43 4
45 0.9 9
50 0.44 4
51 1.77 18
52 0.47 5
58 0.44 4
59 0.39 4
63 1.59 16
64 1.18 12
65 2.6 26
75 0.53 5
76 1.6 16
77 3.25 33
78 1.36 14
79 0.54 5
89 1.45 15
90 0.66 7
91 9.7 97
92 1.23 12
102 0.71 7
103 1.73 17
104 0.42 4
105 1.05 11
107 0.64 6
115 0.96 10
120 1.06 11
121 0.58 6
127 0.54 5
128 1.16 12
133 0.4 4
135 1.48 15
136 0.54 5
137 0.58 6
138 0.44 4
141 0.45 5
149 0.43 4
150 0.41 4
151 3.78 38
152 1.97 20
153 1.5 15
154 0.63 6
155 0.84 8
163 2.5 25
164 0.95 10
165 4.91 49
166 5.34 53
167 0.96 10
168 0.4 4
177 0.64 6
178 3.8 38
179 1.46 15
181 20.59 206
182 2.53 25
183 0.7 7
193 0.69 7
194 1.2 12
195 0.83 8
209 99.99 999
210 14.38 144
211 2.15 22
225 0.45 5
226 0.95 10
239 0.6 6
240 0.58 6
241 8.6 86
242 1.38 14
300 31.38 314
301 6.64 66
302 0.88 9
//
system version 2.2.8-SNAPSHOT