MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007148
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007148
RECORD_TITLE: BENZOYLACETONE; 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$NAME: BENZOYLACETONE
CH$NAME: 1-PHENYL-1,3-BUTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O2
CH$EXACT_MASS: 162.06808
CH$SMILES: CC(=O)CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: CAS
93-91-4
CH$LINK: INCHIKEY
CVBUKMMMRLOKQR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021803
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$SPLASH: splash10-0cfu-9500000000-4c8eabc1396875b174a8
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
14 1.32 13
15 4.89 49
18 2.27 23
26 1.29 13
27 6.79 68
29 3.47 35
31 2.45 25
38 2.07 21
39 10.62 106
41 3.75 38
42 4.05 41
43 53.93 539
44 1.21 12
50 12.96 130
51 46.92 469
52 3.83 38
53 1.85 19
55 3.43 34
62 2.46 25
63 5.83 58
64 1.54 15
65 7.2 72
66 1.67 17
67 2.15 22
69 79.7 797
70 2.48 25
74 5.49 55
75 4.13 41
76 5.43 54
77 78.38 784
78 13.91 139
79 2.51 25
85 15.53 155
86 1.6 16
89 3.49 35
90 1.74 17
91 7.95 80
92 1.22 12
102 1.97 20
103 3.21 32
105 99.99 999
106 5.77 58
115 1.53 15
120 5.93 59
145 1.43 14
147 49.66 497
148 4.06 41
160 1.04 10
161 32.07 321
162 59.71 597
163 5.43 54
//
system version 2.2.6-SNAPSHOT