MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006960
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006960
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
CH$LINK: INCHIKEY
SHSGYHAHMQLYRB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5038830
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$SPLASH: splash10-00dl-9200000000-c7d5914837406e6d5d1e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 7.11 71
29 2.38 24
39 5.9 59
41 9.47 95
42 1.97 20
43 41.62 416
44 1 10
51 1.79 18
55 4.21 42
59 2.39 24
63 1.2 12
65 5.61 56
71 99.99 999
72 3.27 33
77 1.94 19
78 1.1 11
89 1.25 13
91 28.24 282
92 2.3 23
105 1.66 17
115 2.24 22
117 8.07 81
129 3.3 33
131 1.28 13
132 30.34 303
133 9.52 95
162 1.86 19
//