MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001302
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001302
RECORD_TITLE: ACETIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID BUTYL ESTER
CH$NAME: BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCOC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
CH$LINK: INCHIKEY
DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021982
AC$INSTRUMENT: HITACHI RMU-7M
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-e7000014bd02a2fabf76
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 3.78 38
27 5.04 50
28 3.09 31
29 6.68 67
31 1.32 13
39 2.9 29
41 14.49 145
42 2.52 25
43 99.99 999
44 2.52 25
55 7.06 71
56 39.89 399
57 3.21 32
58 1.83 18
61 12.92 129
71 1.39 14
73 14.74 147
87 1.26 13
//