MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006971
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006971
RECORD_TITLE: ISOPENTYL ISOBUTYRATE; 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$NAME: ISOPENTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CC(C)CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
VFTGLSWXJMRZNB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0062131
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$SPLASH: splash10-006x-9000000000-f52f38a23e150d10c7c8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.15 12
27 18.62 186
28 4.66 47
29 8.46 85
39 10.33 103
40 1.64 16
41 28.79 288
42 13.03 130
43 99.99 999
44 3.11 31
45 1.51 15
53 1.34 13
55 24.3 243
56 1.64 16
57 1.74 17
69 3.63 36
70 66.38 664
71 56.51 565
72 2.06 21
73 1.25 13
85 1.13 11
88 1.08 11
89 11.5 115
101 1.51 15
115 2.66 27
//