MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008461
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008461
RECORD_TITLE: ACETOPHENONE DIMETHYL ACETAL; 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$NAME: ACETOPHENONE DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: COC(C)(OC)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
CH$LINK: INCHIKEY
XKSUVRWJZCEYQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9063407
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$SPLASH: splash10-0f7x-9600000000-afa6e2d10eb8e4ac514b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
15 15.73 157
26 1 10
27 5.46 55
29 16.07 161
30 2.64 26
31 15.74 157
32 3.12 31
38 2.29 23
39 11.74 117
41 1.58 16
42 2.66 27
43 73.04 730
44 1.09 11
50 15.26 153
51 33.57 336
52 3.81 38
53 1.09 11
57 1.43 14
59 2.49 25
62 2.79 28
63 8.82 88
64 1.83 18
65 11.86 119
74 5.27 53
75 3.65 37
76 6.23 62
77 47.47 475
78 24.28 243
79 2.38 24
89 16.09 161
90 2.29 23
91 34.29 343
92 3.35 34
102 6.81 68
103 28.35 284
104 29.25 293
105 26.45 265
106 1.64 16
119 1.87 19
133 32.67 327
134 29.7 297
135 99.99 999
136 9.24 92
151 18.69 187
152 1.5 15
//