MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008557
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008557
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL PROPIONATE; 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL PROPIONATE
CH$NAME: DIMETHYL BENZYL CARBINYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CCC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
CH$LINK: INCHIKEY
BLKIYRRGHOQSPP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90867326
AC$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: splash10-0a4i-9200000000-26d966d0e8a9b49aecbd
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 5.42 54
28 1.47 15
29 22.31 223
39 4 40
41 2.2 22
43 6.01 60
51 2.15 22
55 2.55 26
57 99.99 999
58 2.9 29
59 3.05 31
63 1.48 15
65 6.16 62
77 1.46 15
78 1.02 10
89 1.3 13
91 25.24 252
92 2.5 25
105 1.47 15
115 6.07 61
116 1.02 10
117 6.65 67
132 23.19 232
133 7.5 75
148 2.1 21
//