MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006140
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006140
RECORD_TITLE: ISOPENTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ISOPENTYL DECANOATE
CH$NAME: ISOPENTYL CAPRATE
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-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-8e85dfbed007816b0393
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
41 1.63 16
42 3.11 31
43 20.45 205
55 8.32 83
57 4.18 42
60 1.73 17
61 1.24 12
69 2.48 25
70 99.99 999
71 30.69 307
72 1.39 14
73 2.2 22
84 1.12 11
85 1.91 19
115 1.24 12
129 1.22 12
155 4.99 50
172 1.03 10
173 2.05 21
242 0.1 1
//