MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008718
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008718
RECORD_TITLE: ALPHA-HEXYLCINNAMALDEHYDE; 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$NAME: ALPHA-HEXYLCINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O
CH$EXACT_MASS: 216.15142
CH$SMILES: CCCCCCC(C=O)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
CH$LINK: INCHIKEY
GUUHFMWKWLOQMM-NTCAYCPXSA-N
AC$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: splash10-014l-5910000000-b22a42c164a28ba714e4
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
16 1.61 16
17 1.86 19
27 21.72 217
29 25.58 256
39 25.17 252
40 2.29 23
41 33.89 339
42 5.91 59
43 27.18 272
50 1.43 14
51 13.02 130
52 2.3 23
53 7.13 71
55 15.16 152
57 4.53 45
63 8.29 83
65 13.4 134
67 7.58 76
69 4.55 46
76 2.12 21
77 19.55 196
78 14.99 150
79 4.88 49
82 13.1 131
83 11.66 117
89 7.98 80
91 96.95 970
92 11.9 119
95 7.63 76
102 7.49 75
103 9.56 96
104 15.02 150
105 9.63 96
115 78.81 788
116 35.62 356
117 99.79 998
118 19.23 192
125 3.86 39
127 9.42 94
128 20.83 208
129 99.99 999
130 17.11 171
131 42.25 423
132 5.08 51
133 2.41 24
141 15.37 154
142 5.22 52
143 4.93 49
145 52.56 526
146 12.06 121
155 5.78 58
158 3.67 37
159 14.85 149
160 4.01 40
173 15.92 159
174 10.3 103
185 1.79 18
187 1.1 11
215 24.93 249
216 50.43 504
217 8 80
//