MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008559
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008559
RECORD_TITLE: 1,1-DIMETHYL-3-PHENYLPROPYL BUTYRATE; 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$NAME: 1,1-DIMETHYL-3-PHENYLPROPYL BUTYRATE
CH$NAME: DIMETHYL PHENYLETHYL CARBINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCC(=O)OC(C)(C)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-4-8-14(16)17-15(2,3)12-11-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3
CH$LINK: INCHIKEY
AIDHEBLAMCYZRU-UHFFFAOYSA-N
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$SPLASH: splash10-000x-9600000000-0f4c61b474acfb1cf00c
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
18 1.11 11
27 12.76 128
28 1.46 15
29 2.98 30
39 7.99 80
40 1.37 14
41 17.82 178
42 2.57 26
43 43.07 431
44 1.22 12
51 3.46 35
52 1.2 12
53 1.69 17
55 2.01 20
56 3.9 39
59 2.63 26
60 1.15 12
63 1.93 19
65 11.65 117
68 2.19 22
71 41.97 420
72 1.62 16
77 5.27 53
78 2.93 29
79 2.82 28
89 2.21 22
90 1.15 12
91 84.82 848
92 5.73 57
103 2.73 27
104 3.36 34
105 9.45 95
115 1.82 18
116 1.36 14
117 2.37 24
129 2.03 20
131 99.99 999
132 11.46 115
145 2.31 23
146 51.69 517
147 12.03 120
148 1.09 11
//