MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004942
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004942
RECORD_TITLE: ETHYL BUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL BUTANOATE
CH$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: CAS
105-54-4
CH$LINK: INCHIKEY
OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6040111
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00du-9000000000-5cfbe6fd33a8e1accffd
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
40 11.96 120
42 11.97 120
43 75.93 759
44 1.59 16
45 15.87 159
55 3.68 37
57 1.27 13
60 20.54 205
61 9.87 99
70 9.07 91
71 99.99 999
72 4.64 46
73 18.07 181
88 54 540
89 16.26 163
101 7.63 76
116 4.51 45
//