MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005831
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005831
RECORD_TITLE: SEC-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-9000000000-65bca2aad8c90318a0c6
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
29 4.02 40
41 9.82 98
42 1 10
43 99.99 999
44 2.41 24
45 2.53 25
55 2.35 24
56 22.81 228
57 11.58 116
61 8.76 88
72 1.04 10
73 7.02 70
87 24.25 243
88 1.12 11
101 4.27 43
116 3.27 33
//
system version 2.2.6-SNAPSHOT