MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011243
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011243
RECORD_TITLE: TRANS-2,3-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$NAME: TRANS-2,3-DIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O4
CH$EXACT_MASS: 208.07356
CH$SMILES: COc(c1)c(OC)c(C=CC(O)=O)cc1
CH$IUPAC: InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
CH$LINK: INCHIKEY
QAXPUWGAGVERSJ-VOTSOKGWSA-N
AC$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: splash10-056r-1930000000-6ef04981d6df349ba6ca
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
39 0.7 7
41 0.9 9
43 1 10
44 0.8 8
45 1.5 15
51 0.5 5
53 0.7 7
55 2.6 26
59 2 20
65 3.1 31
66 3.3 33
67 0.5 5
69 0.6 6
77 9.6 96
78 3.7 37
79 1.8 18
89 2.2 22
90 1 10
91 16.2 162
92 1.8 18
93 0.9 9
94 2.1 21
95 1 10
102 1 10
103 4.9 49
104 0.9 9
105 7.6 76
106 2.5 25
107 1.2 12
109 1.8 18
117 0.9 9
118 2.9 29
119 3.1 31
120 3.1 31
121 21.6 216
122 2.6 26
123 1.1 11
124 0.7 7
130 0.7 7
131 2.8 28
132 0.9 9
133 11.9 119
134 22.1 221
135 3.1 31
136 0.6 6
137 1.2 12
146 0.8 8
147 6.4 64
148 12.8 128
149 6.7 67
150 1.5 15
151 0.5 5
161 7.1 71
162 4.8 48
163 1.3 13
165 0.6 6
175 5.3 53
176 40 400
177 99.99 999
178 11.4 114
179 1.3 13
191 3.4 34
192 0.6 6
193 0.5 5
207 0.5 5
208 92.8 928
209 11.3 113
210 1.5 15
//