MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008478
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008478
RECORD_TITLE: ETHYL 2-ETHYLBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
MJGSLNIPTRPYJV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00183963
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$SPLASH: splash10-00tf-9300000000-19a372f759d83e0a350a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 1.48 15
26 1.86 19
27 27.53 275
29 45.44 454
30 1.25 13
31 1.71 17
39 14.22 142
41 27.43 274
42 8.21 82
43 96.98 970
44 2.54 25
45 9.68 97
53 2.4 24
55 24.25 243
56 1.82 18
57 1.58 16
59 1.52 15
69 5.26 53
70 11.07 111
71 82.78 828
72 4.29 43
73 22.2 222
74 1.54 15
83 1.05 11
87 22.98 230
88 18.43 184
89 2.19 22
99 41.41 414
100 2.79 28
101 39.2 392
102 3.05 31
115 23.8 238
116 99.99 999
117 10.59 106
129 3.83 38
144 1.11 11
//