MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010876
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010876
RECORD_TITLE: ETHYL 2-HEXYLNONANOATE; 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$NAME: ETHYL 2-HEXYLNONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCC(CCCCCC)C(=O)OCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-9-11-13-15-16(17(18)19-6-3)14-12-10-8-5-2/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY
OOCDGNOKAHNFJG-UHFFFAOYSA-N
AC$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: splash10-0596-9200000000-04bbb8a3a0b35614ccf2
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
27 12.7 127
29 29.6 296
31 2 20
39 8.6 86
41 56.6 566
42 15 150
43 63.1 631
44 1.6 16
45 1 10
53 2.8 28
54 2.9 29
56 24.4 244
57 99.99 999
58 4 40
59 1.5 15
60 9.1 91
61 5 50
67 4.3 43
68 3.4 34
69 18.2 182
70 98.9 989
71 66.1 661
72 3.8 38
73 7.5 75
74 3.1 31
81 4.2 42
83 28.2 282
84 17.8 178
85 2.1 21
86 1.4 14
87 5.1 51
96 1.2 12
97 4.1 41
98 7 70
99 2 20
101 1.9 19
111 2 20
112 69.8 698
113 13.1 131
115 3.5 35
123 1.4 14
129 3.6 36
139 1 10
141 64.6 646
142 7.1 71
143 1.3 13
157 1.8 18
158 10 100
159 19.4 194
160 1.7 17
184 1.1 11
//