MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005725
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005725
RECORD_TITLE: 4-METHOXYCINNAMIC 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$NAME: 4-METHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O3
CH$EXACT_MASS: 178.06299
CH$SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O
CH$IUPAC: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
CH$LINK: CAS
943-89-5
CH$LINK: INCHIKEY
AFDXODALSZRGIH-QPJJXVBHSA-N
CH$LINK: COMPTOX
DTXSID1046059
AC$INSTRUMENT: HITACHI M-80
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: splash10-004i-7900000000-6075ede461ba4ee4c7cd
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
15 9.6 96
26 1.69 17
27 2.53 25
37 1.34 13
38 3.85 39
39 9.59 96
40 1.25 13
45 9.12 91
49 0.6 6
50 8.7 87
51 10.48 105
52 2.52 25
53 3.76 38
61 1.53 15
62 8.85 89
63 21.69 217
64 8.82 88
65 7.1 71
66 1.26 13
67 0.54 5
74 4.71 47
75 5.56 56
76 3.48 35
77 20.02 200
78 3.65 37
79 12.74 127
80 1.29 13
86 0.73 7
87 1.39 14
88 0.57 6
89 21.65 217
90 12.51 125
91 7.97 80
92 5.7 57
93 0.82 8
94 0.55 6
101 1.5 15
102 4.35 44
103 4.2 42
104 0.54 5
105 0.82 8
107 6.16 62
108 1.4 14
109 0.56 6
117 8.71 87
118 8.71 87
119 1.44 14
120 0.37 4
121 5.07 51
122 0.87 9
124 0.97 10
125 1.2 12
132 13.32 133
133 20.56 206
134 2.7 27
135 5.21 52
136 0.95 10
137 1.26 13
145 0.94 9
146 1.25 13
147 3.55 36
148 0.49 5
149 0.99 10
150 2.02 20
152 0.71 7
160 1.27 13
161 32.98 330
162 3.86 39
163 4.34 43
164 0.89 9
176 2.13 21
177 18.03 180
178 99.99 999
179 10.13 101
180 1.04 10
//