MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001524
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-fe9fbf0a38e9d2dfce0a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 4.92 49
27 5.44 54
28 2.28 23
29 8.55 86
31 1.14 11
39 3.11 31
41 11.45 115
42 1.71 17
43 99.99 999
44 2.69 27
45 3.26 33
55 2.43 24
56 20.41 204
57 6.56 66
61 4.56 46
72 1.24 12
73 5.49 55
87 16.58 166
101 3.21 32
116 0.62 6
//
system version 2.2.6-SNAPSHOT