MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001686
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001686
RECORD_TITLE: METHACRYLIC ACID 2-ETHYLHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHACRYLIC ACID 2-ETHYLHEXYL ESTER
CH$NAME: 2-ETHYLHEXYL METHACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCC(CC)COC(=O)C(C)=C
CH$IUPAC: InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
CH$LINK: INCHIKEY
WDQMWEYDKDCEHT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3027293
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0603-9000000000-52174175656da66091c0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 0.44 4
27 6.56 66
28 2.22 22
29 12.78 128
39 11.5 115
40 2.89 29
41 63.11 631
42 10.5 105
43 19.72 197
53 1.5 15
54 1.78 18
55 30.89 309
56 20.44 204
57 31.83 318
58 1.61 16
67 1.39 14
68 1.89 19
69 94.39 944
70 99.99 999
71 13.44 134
82 4.06 41
83 21.56 216
84 12.33 123
85 2.17 22
87 11.11 111
97 2.67 27
98 1.06 11
99 4.28 43
100 2 20
111 1.11 11
112 19.78 198
113 2 20
//