MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007179
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007179
RECORD_TITLE: ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ISOBUTYRATE; 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$NAME: ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CC(C)C(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
CH$LINK: INCHIKEY
KOEHGIXXSWVEPT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1069324
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$SPLASH: splash10-006x-9200000000-faf3b543432255b60b39
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 8.07 81
29 2.74 27
31 1.36 14
39 8.11 81
40 1.02 10
41 11.56 116
42 2.02 20
43 75.19 752
44 2.2 22
51 2.67 27
53 1.14 11
55 6.73 67
59 14.89 149
63 1.66 17
65 8.81 88
71 99.99 999
72 3.39 34
77 2.34 23
78 1.9 19
89 1.52 15
91 49.53 495
92 5.58 56
103 1.12 11
105 3.19 32
115 3.51 35
116 1.22 12
117 11.62 116
118 1.58 16
129 6.09 61
131 1.56 16
132 44.24 442
133 21.49 215
134 1.8 18
162 1.88 19
//