MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008613
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008613
RECORD_TITLE: ANISYLACETONE; 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$NAME: ANISYLACETONE
CH$NAME: 4-(4-METHOXYPHENYL)-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: COc(c1)ccc(CCC(C)=O)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY
PCBSXBYCASFXTM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047166
AC$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: splash10-00di-5900000000-47c1f7655edcdfde74c6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 3.11 31
27 2.34 23
39 4.36 44
41 1.79 18
42 1.41 14
43 28.19 282
50 1.69 17
51 4.09 41
52 2.29 23
53 1.23 12
55 2.34 23
63 3 30
64 1.8 18
65 5.07 51
77 8.04 80
78 5.95 60
79 2.68 27
89 1.96 20
90 1.17 12
91 8.85 89
92 2.37 24
103 2.63 26
105 3.13 31
108 8.12 81
119 1.65 17
120 1.64 16
121 99.99 999
122 7.33 73
134 1.4 14
135 5.93 59
163 2.6 26
178 28.34 283
179 2.98 30
//
system version 2.2.6-SNAPSHOT