MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006968
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006968
RECORD_TITLE: BUTYL 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$NAME: BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9073888
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$SPLASH: splash10-052f-9000000000-ddfd71ef6bb2b00f9175
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 1.76 18
26 2.26 23
27 32.21 322
28 10.85 109
29 35.4 354
31 2.06 21
38 1.01 10
39 16.74 167
40 2.59 26
41 58.02 580
42 9.07 91
43 99.99 999
44 3.07 31
45 1.34 13
55 8.62 86
56 43.65 437
57 41.56 416
58 1.72 17
70 1.04 10
71 77.96 780
72 3.27 33
73 5.55 56
88 2.57 26
89 60.04 600
90 2.21 22
101 3.91 39
//
system version 2.2.8-SNAPSHOT