MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008714
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008714
RECORD_TITLE: ALPHA-BUTYLCINNAMALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-BUTYLCINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O
CH$EXACT_MASS: 188.12012
CH$SMILES: CCCCC(C=O)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+
CH$LINK: INCHIKEY
GFBCBQNBXRPRQD-JLHYYAGUSA-N
AC$INSTRUMENT: HITACHI M-80B
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: splash10-014r-4900000000-2a9aef18b1630a173707
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
27 19.78 198
29 10.17 102
39 21.2 212
41 15.81 158
42 2.4 24
43 5.18 52
50 4.86 49
51 14.55 146
52 3.85 39
53 6.02 60
54 1.38 14
55 5.61 56
62 1.84 18
63 10.03 100
64 2.32 23
65 12.06 121
66 1.15 12
67 4.42 44
68 1.07 11
69 2 20
71 1.48 15
74 2.63 26
75 3.95 40
76 3.64 36
77 17.58 176
78 13.48 135
79 4.38 44
81 3.4 34
87 1.42 14
89 9.06 91
90 1.1 11
91 75.68 757
92 7.24 72
95 4.68 47
97 7.8 78
101 1.54 15
102 7.47 75
103 8.22 82
104 9.96 100
105 5.46 55
110 1.65 17
113 1.49 15
114 1.82 18
115 82.28 823
116 30.38 304
117 99.99 999
118 16.53 165
119 2.35 24
127 8.83 88
128 15.88 159
129 76.84 768
130 10.35 104
131 36.64 366
132 6.64 66
133 2.02 20
141 13.43 134
142 3.04 30
143 1.26 13
144 2.74 27
145 39.02 390
146 8.11 81
147 1.18 12
155 3.64 36
157 5.33 53
158 2.66 27
159 7.58 76
160 2.78 28
173 2.82 28
187 34.11 341
188 57.86 579
189 7.65 77
//