MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007202
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007202
RECORD_TITLE: ISOPENTYL DECANOATE; 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$NAME: ISOPENTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY
XDOGFYDZGUDBQY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7062320
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$SPLASH: splash10-00di-9000000000-587d40b1493d6deab483
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 7 70
29 11.09 111
39 3.8 38
41 22.14 221
42 8.88 89
43 45.13 451
44 1.12 11
45 1.07 11
53 1.29 13
54 1.06 11
55 23.36 234
56 3.18 32
57 10.12 101
60 3.39 34
61 1.31 13
67 1.23 12
68 1.08 11
69 6.99 70
70 99.99 999
71 39.1 391
72 1.87 19
73 3.68 37
81 1.34 13
83 1.79 18
84 1.71 17
85 3.1 31
87 1.69 17
95 1.29 13
97 1.13 11
98 1.38 14
115 1.77 18
129 2.32 23
130 1.16 12
143 1.25 13
155 15.94 159
156 1.61 16
172 2.4 24
173 5.98 60
199 1.04 10
//