MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011244
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011244
RECORD_TITLE: TRANS-2,4-DIMETHOXYCINNAMIC 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$NAME: TRANS-2,4-DIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O4
CH$EXACT_MASS: 208.07356
CH$SMILES: COc(c1)cc(OC)c(C=CC(O)=O)c1
CH$IUPAC: InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
CH$LINK: INCHIKEY
YIKHDPHTFYWYJV-GQCTYLIASA-N
AC$INSTRUMENT: SHIMADZU QP-1000EX
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: splash10-0a4i-1960000000-4c965573e9621b83891b
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
41 0.8 8
43 0.9 9
44 0.6 6
45 0.7 7
53 0.6 6
55 1.5 15
57 0.5 5
59 0.9 9
65 1.5 15
66 1 10
69 1.2 12
77 5.6 56
78 2.1 21
79 2.2 22
85 1.1 11
89 1 10
90 1.2 12
91 4.2 42
92 0.9 9
93 0.4 4
94 1.5 15
95 1.1 11
103 2.3 23
104 0.6 6
105 3.4 34
106 1 10
107 1 10
108 0.8 8
109 0.9 9
117 0.6 6
118 1.6 16
119 1.8 18
120 1 10
121 27.1 271
122 2.7 27
123 0.5 5
124 4.6 46
125 0.6 6
131 1 10
132 0.7 7
133 9.2 92
134 2.5 25
135 2.2 22
136 0.6 6
137 1.6 16
147 2.2 22
148 8.1 81
149 33.8 338
150 5.1 51
151 1.3 13
161 4.8 48
162 2.8 28
163 1.8 18
164 0.5 5
165 0.8 8
176 3.9 39
177 26.4 264
178 3 30
179 0.5 5
191 6.1 61
192 1 10
193 0.4 4
207 1.3 13
208 99.99 999
209 12.3 123
210 1.5 15
//