MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005908
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005908
RECORD_TITLE: SEC-BUTYL ACETATE; 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$NAME: SEC-BUTYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-b7b62aa4ddd87046c6fe
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
28 1 10
29 3.21 32
41 7.9 79
43 99.99 999
44 2.6 26
45 2.8 28
55 1.9 19
56 29.21 292
57 7.61 76
59 1.2 12
61 6.11 61
72 1.5 15
73 7.21 72
87 24.32 243
88 1.2 12
101 4.5 45
116 0.7 7
//
system version 2.2.6-SNAPSHOT