MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006544
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006544
RECORD_TITLE: ETHYL 2-ETHYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-ETHYLHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(CC)C(=O)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY
YXAGIRHBJJLWHW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40863070
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$SPLASH: splash10-0pxu-9400000000-8407f9bbddac2d7ace48
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 1.26 13
26 1.55 16
27 33.13 331
29 63.75 638
30 1.37 14
31 1.92 19
39 15.54 155
41 52.46 525
42 11.35 114
43 37.13 371
45 8.23 82
53 3.97 40
54 1.62 16
55 29.92 299
56 10.32 103
57 99.99 999
58 4.01 40
59 1.99 20
67 1.37 14
68 1.01 10
69 8.28 83
70 8.77 88
71 3.89 39
73 37.65 377
74 1.61 16
83 2.13 21
87 9.32 93
88 18.9 189
89 2.37 24
97 1.62 16
98 2.1 21
99 11.13 111
101 73.49 735
102 4.96 50
115 18.6 186
116 96.88 969
117 6.51 65
127 15.79 158
128 1.26 13
129 11.01 110
143 5.83 58
144 13.61 136
145 1.54 15
//