MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009455
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009455
RECORD_TITLE: ETHYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: CCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
CH$LINK: INCHIKEY
KBEBGUQPQBELIU-CMDGGOBGSA-N
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-0udi-9800000000-37cf39cf9d251824252b
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
40 1.5 15
41 3 30
42 2 20
43 4.5 45
44 1.5 15
45 2 20
49 1.5 15
50 37.5 375
51 68 680
52 12 120
53 5.5 55
54 1.5 15
55 2.5 25
57 1.5 15
61 1.5 15
62 7.5 75
63 19.5 195
64 4 40
65 5.5 55
66 2 20
69 4.5 45
71 1.5 15
73 2.5 25
74 12.5 125
75 16.5 165
76 27.5 275
77 82 820
78 16.5 165
79 3.5 35
86 1.5 15
87 2 20
88 1.5 15
89 3 30
90 2 20
91 15 150
92 3.5 35
93 1.5 15
94 1.5 15
97 2.5 25
99 1.5 15
101 5 50
102 42 420
103 88.5 885
104 41.5 415
105 5 50
106 1.5 15
107 2 20
115 2.5 25
116 1.5 15
117 2 20
118 1.5 15
119 2 20
120 4.5 45
121 1.5 15
129 2.5 25
130 7.5 75
131 99.99 999
132 12 120
133 2.5 25
135 1.5 15
147 17 170
148 17.5 175
149 1.5 15
158 2.5 25
161 1.5 15
175 2.5 25
176 14 140
177 3 30
//