MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008542
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008542
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL ACETATE; 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL ACETATE
CH$NAME: DIMETHYL BENZYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
CH$LINK: INCHIKEY
FLUWAIIVLCVEKF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3041877
AC$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: splash10-0006-9200000000-c6be4e527c151768a762
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 2.37 24
27 1.62 16
29 1.63 16
31 1.18 12
39 5.44 54
41 2.34 23
43 99.99 999
44 2.09 21
51 2.51 25
55 2.02 20
59 23.9 239
63 1.84 18
65 7.84 78
77 1.48 15
78 1.03 10
89 1.59 16
91 27.14 271
92 5.87 59
101 7.84 78
105 1.33 13
115 2.36 24
117 7.95 80
132 22.32 223
133 5.24 52
134 4.18 42
135 5.39 54
//