MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008615
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008615
RECORD_TITLE: ALPHA-METHYLANISALACETONE; 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$NAME: ALPHA-METHYLANISALACETONE
CH$NAME: 5-(4-METHOXYPHENYL)-4-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O2
CH$EXACT_MASS: 190.09938
CH$SMILES: CCC(=O)C=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+
CH$LINK: INCHIKEY
SLDQOBRACOQXGE-QPJJXVBHSA-N
CH$LINK: COMPTOX
DTXSID00231670
AC$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: splash10-03di-3900000000-9e477ebf4e87fe2634e2
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 2.02 20
26 1.16 12
27 5.54 55
29 5.27 53
38 1.19 12
39 3.01 30
44 1.82 18
50 1.9 19
51 3.13 31
53 1.06 11
55 2.01 20
57 1.9 19
62 1.8 18
63 6.18 62
64 3.32 33
65 1.43 14
75 1.77 18
76 1.74 17
77 7.19 72
78 1.39 14
79 2.16 22
89 7.96 80
90 8.07 81
91 2.32 23
92 3.74 37
101 1.14 11
102 3.16 32
103 3.84 38
108 1.1 11
115 1.76 18
117 1.73 17
118 7.1 71
119 1.33 13
132 1.01 10
133 29.08 291
134 2.67 27
146 1.22 12
157 1.72 17
159 1.07 11
161 99.99 999
162 8.55 86
173 1.53 15
187 2.38 24
188 3.9 39
189 1.39 14
190 19.26 193
191 2.01 20
//