MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008711
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008711
RECORD_TITLE: ALPHA-METHYLCINNAMALDEHYDE; 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$NAME: ALPHA-METHYLCINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O
CH$EXACT_MASS: 146.07316
CH$SMILES: O=CC(C)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
CH$LINK: INCHIKEY
VLUMOWNVWOXZAU-VQHVLOKHSA-N
AC$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: splash10-00kb-6900000000-1f699bf3fa26740328df
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
18 1.01 10
26 1.31 13
27 5.8 58
29 12.2 122
37 1.07 11
38 4.1 41
39 30.16 302
40 2.38 24
41 3.78 38
50 11.11 111
51 26.37 264
52 5.14 51
53 1.73 17
58 2.23 22
61 2.04 20
62 6.64 66
63 17.83 178
64 3.16 32
65 14.2 142
68 1.07 11
74 5 50
75 4.62 46
76 3.99 40
77 11.09 111
78 41.92 419
79 2.97 30
86 2 20
87 2.65 27
88 1.28 13
89 10.28 103
90 2.46 25
91 46.49 465
92 3.82 38
102 5.34 53
103 9.94 99
105 2.72 27
113 1.58 16
114 1.53 15
115 66.11 661
116 15.05 151
117 83.66 837
118 11.32 113
127 1.48 15
128 2.31 23
129 1.29 13
131 7.69 77
145 99.99 999
146 87.68 877
147 7.78 78
//