MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005476
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005476
RECORD_TITLE: METHYL (E)-4-HYDROXY-4-PHENYL-2-BUTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (E)-4-HYDROXY-4-PHENYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O3
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C=CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-8,10,12H,1H3/b8-7+
CH$LINK: INCHIKEY
UHAABQMOQDTLEC-BQYQJAHWSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03yi-4900000000-f198b022342a9369b951
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
15 1.9 19
17 4.7 47
18 35.8 358
27 0.12 1
28 9.9 99
29 1.7 17
30 0.4 4
31 0.14 1
32 2.2 22
33 0.3 3
39 0.6 6
40 0.06 1
41 0.7 7
42 0.7 7
43 4.9 49
44 0.09 1
45 0.9 9
51 0.6 6
52 0.6 6
53 0.09 1
54 1 10
55 30 300
56 1.3 13
57 0.1 1
58 1.2 12
59 3.2 32
61 1.7 17
69 0.13 1
73 1.9 19
75 1.2 12
77 26.6 266
78 0.83 8
79 19.8 198
80 1.6 16
81 0.8 8
82 0.86 9
83 2.6 26
84 0.7 7
85 2.7 27
86 0.08 1
87 54.3 543
88 3.8 38
89 2.3 23
90 0.04 0
91 8.6 86
92 2.2 22
99 2.8 28
101 0.23 2
102 2.2 22
103 15 150
104 20.6 206
105 9.06 91
106 6.4 64
107 11.8 118
108 1.7 17
113 0.12 1
114 2.5 25
115 42.5 425
116 10.4 104
117 1.14 11
118 1.7 17
119 0.4 4
120 0.5 5
121 0.43 4
122 0.4 4
127 0.4 4
128 0.5 5
129 0.3 3
130 3.4 34
131 92.3 923
132 22.9 229
133 5.57 56
134 4.9 49
135 1.1 11
140 0.4 4
141 0.08 1
142 1.6 16
143 2 20
144 10.9 109
145 0.24 2
146 1.9 19
147 7.7 77
148 1.7 17
149 0.13 1
159 7.2 72
160 23.5 235
161 17.4 174
162 0.35 4
163 99.99 999
164 14.3 143
165 1.6 16
166 0.1 1
167 2.3 23
168 0.5 5
174 30.7 307
175 0.53 5
176 4.5 45
177 1.4 14
178 0.4 4
190 0.2 2
191 0.7 7
192 3.5 35
193 0.4 4
//
system version 2.2.8-SNAPSHOT