MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007085
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007085
RECORD_TITLE: ETHYL 2-METHYLBUTYRATE; 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$NAME: ETHYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
CH$LINK: CAS
7452-79-1
CH$LINK: INCHIKEY
HCRBXQFHJMCTLF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3052488
AC$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: splash10-0pdi-9200000000-bdeaf3cfa63daefe3b19
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
26 2.19 22
27 19.02 190
29 52.61 526
30 1.35 14
39 8.75 88
41 36.01 360
42 2.14 21
43 2.73 27
45 7.91 79
53 1.39 14
55 6.87 69
56 12.58 126
57 99.99 999
58 4.1 41
69 1.65 17
73 5.63 56
74 22.72 227
75 2.04 20
85 39.65 397
86 2 20
87 13.52 135
102 70.68 707
103 8.7 87
115 9.12 91
130 1.65 17
//