MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010776
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010776
RECORD_TITLE: ISOPENTYL LAURATE; 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$NAME: ISOPENTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY
FVKRIDSRWFEQME-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3064221
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9000000000-f62dffce0c8412570752
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
42 1.3 13
43 7.4 74
55 3.6 36
57 0.28 3
60 1.3 13
61 1.3 13
69 1.3 13
70 99.99 999
71 26.4 264
72 1.3 13
73 1.7 17
115 0.19 2
129 1.3 13
130 2.1 21
131 1.3 13
143 0.15 2
183 5.3 53
200 2.8 28
201 4.2 42
270 2.1 21
//