MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005455
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005455
RECORD_TITLE: METHYL (Z)-3-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$NAME: METHYL (Z)-3-HYDROXY-4-PHENYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O3
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C=C(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/b10-8-
CH$LINK: INCHIKEY
MKQJLCBWPQPXAZ-NTMALXAHSA-N
AC$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: splash10-052f-2900000000-6b4a177111f64bbe6877
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
18 6.3 63
27 0.9 9
28 3.2 32
29 0.13 1
30 1.4 14
31 1.3 13
32 0.9 9
33 0.07 1
40 0.4 4
41 1.4 14
42 2.2 22
43 0.12 1
44 0.4 4
54 1.3 13
55 1.2 12
56 0.08 1
57 2.7 27
58 2.2 22
59 8.2 82
60 0.05 1
65 1.5 15
66 0.7 7
67 0.4 4
68 1.53 15
69 2.2 22
70 0.5 5
89 0.4 4
90 0.2 2
91 29 290
92 11.2 112
93 2.1 21
100 0.72 7
101 11 110
102 1.1 11
103 7.1 71
104 0.1 1
105 2.6 26
106 0.5 5
114 0.4 4
115 2.99 30
116 8.3 83
117 7.2 72
118 13.1 131
119 0.33 3
128 0.5 5
129 2.7 27
130 38.3 383
131 2.72 27
132 10.3 103
133 2.2 22
140 0.4 4
141 0.06 1
142 2.4 24
143 4.5 45
144 3.7 37
145 0.14 1
146 0.4 4
158 3.3 33
159 99.99 999
160 5.34 53
161 4.5 45
162 1 10
173 0.5 5
174 0.55 6
175 1.2 12
190 0.9 9
191 73 730
192 1.82 18
193 2.6 26
194 0.6 6
//
system version 2.2.8-SNAPSHOT