MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001202
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001202
RECORD_TITLE: SEC-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: SEC-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
DCKVNWZUADLDEH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047612
AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0006-9000000000-90f2f52d6ddf554b8db5
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 5 50
18 10 100
25 6.5 65
26 0.7 7
27 10.5 105
29 1 10
39 4.5 45
40 0.15 2
41 14 140
42 2 20
43 99.99 999
44 0.25 3
45 3.5 35
55 24.5 245
56 8 80
61 0.4 4
72 1.5 15
73 6 60
88 20 200
89 0.25 3
101 3 30
115 1 10
//
system version 2.2.6-SNAPSHOT