MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007378
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007378
RECORD_TITLE: 4-PHENYL-3-BUTEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4-PHENYL-3-BUTEN-2-ONE
CH$NAME: BENZYLIDENEACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O
CH$EXACT_MASS: 146.07316
CH$SMILES: CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
CH$LINK: CAS
5876-76-6
CH$LINK: INCHIKEY
BWHOZHOGCMHOBV-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID1031626
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0f7k-4900000000-8295a2d505aa2a9f77ce
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 4.54 45
27 3.12 31
28 2 20
38 2 20
39 6.19 62
43 25.34 253
50 9.55 96
51 28.95 290
51.5 4.66 47
52 4.18 42
53 1.24 12
57.5 1.24 12
58 2.06 21
62 2.77 28
63 6.78 68
64 1.06 11
65 1.77 18
65.5 3.83 38
73 1.65 17
74 4.65 47
75 4.88 49
76 5.9 59
77 42.52 425
78 4.18 42
82 1.18 12
89 1.23 12
91 2.3 23
101 1.83 18
102 9.73 97
103 80.5 805
104 8.2 82
105 1.06 11
115 3.24 32
117 2.48 25
131 99.99 999
132 10.26 103
144 1.18 12
145 42.17 422
146 74.13 741
147 8.26 83
//