MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006492
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006492
RECORD_TITLE: ETHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
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$LINK: INCHIKEY
OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6040111
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0096-9000000000-8f2e75f476f548f5d68d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 4.06 41
18 1.62 16
26 6.36 64
27 48.1 481
28 9.51 95
29 67.97 680
30 2.28 23
31 2.55 26
38 1.56 16
39 17.18 172
40 2.55 26
41 32.61 326
42 20.9 209
43 99.99 999
44 4.13 41
45 19 190
55 4.13 41
60 22.19 222
61 9.93 99
69 1.04 10
70 9.43 94
71 98.25 983
72 4.34 43
73 19.53 195
88 49.53 495
89 12.85 129
101 6.51 65
116 3.45 35
//