MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007334
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007334
RECORD_TITLE: ACRYLIC ACID 2-ETHYLHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ACRYLIC ACID 2-ETHYLHEXYL ESTER
CH$NAME: 2-PROPENOIC ACID 2-ETHYLHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCC(CC)COC(=O)C=C
CH$IUPAC: InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
CH$LINK: CAS
103-11-7
CH$LINK: INCHIKEY
GOXQRTZXKQZDDN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025297
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0ab9-9000000000-6a187cc3758586a55d69
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
26 1.8 18
27 33.7 337
28 3.23 32
29 19.96 200
31 1.99 20
39 7.08 71
40 1.23 12
41 34.5 345
42 13.68 137
43 26.61 266
44 1.04 10
53 2.47 25
54 2.61 26
55 92.77 928
56 25.94 259
57 52.7 527
58 4.56 46
67 1.8 18
68 2.61 26
69 15.05 151
70 99.99 999
71 13.44 134
73 10.12 101
81 1.14 11
82 4.42 44
83 24.85 249
84 13.35 134
85 9.36 94
86 6.41 64
87 1.9 19
97 2.75 28
98 3.42 34
111 2.37 24
112 32.74 327
113 2.9 29
//