MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002558
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002558
RECORD_TITLE: N-BUTYL ISOBUTYRATE; 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$NAME: N-BUTYL ISOBUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-059f-9000000000-9688cae9c61bb66ddb0c
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 1.92 19
26 1.95 20
27 24.83 248
28 8.32 83
29 32.3 323
31 2.56 26
39 11.45 115
40 2.43 24
41 49.77 498
42 9.37 94
43 99.99 999
44 3.52 35
45 1.25 13
55 8.54 85
56 56.04 560
57 45.49 455
58 2.03 20
59 1.12 11
70 1.5 15
71 90.19 902
72 4.67 47
73 4.43 44
88 4.17 42
89 83.3 833
90 4 40
101 6.54 65
//