MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007143
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007143
RECORD_TITLE: BENZYLIDENEACETONE; 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$NAME: BENZYLIDENEACETONE
CH$NAME: TRANS-4-PHENYL-3-BUTEN-2-ONE
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
1896-62-4
CH$LINK: INCHIKEY
BWHOZHOGCMHOBV-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID1031626
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$SPLASH: splash10-0uea-5900000000-bbca89d5b1a35227985d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 5.34 53
26 1.21 12
27 3.52 35
38 2.53 25
39 7.03 70
42 1.91 19
43 32.42 324
50 14.69 147
51 38.34 383
52 4.93 49
53 1.49 15
58 1.33 13
62 3.38 34
63 8.33 83
64 1.12 11
65 2.06 21
73 1.22 12
74 5.79 58
75 5.66 57
76 6.96 70
77 55.65 557
78 4.03 40
87 1.01 10
89 1.41 14
91 2.75 28
101 1.97 20
102 14.13 141
103 96.21 962
104 7.28 73
115 3.48 35
117 2.2 22
131 99.99 999
132 7.91 79
145 46.31 463
146 60.43 604
147 5.28 53
//
system version 2.2.6-SNAPSHOT