MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007087
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007087
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCC(C)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY
DIRDKDDFAMNBNY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047550
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$SPLASH: splash10-052f-9100000000-7ab9569d04b425087b93
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 1.07 11
17 1.79 18
18 9.47 95
26 1.3 13
27 14.63 146
29 13.89 139
39 11.69 117
41 36.23 362
42 5.34 53
43 99.99 999
44 2.28 23
45 3.45 35
53 1.06 11
55 3.67 37
56 10.95 110
57 79.41 794
58 2.98 30
59 10.32 103
73 1.99 20
74 17.44 174
85 48.89 489
86 2.46 25
87 6.15 62
102 5.92 59
103 23.78 238
104 1.23 12
116 14.15 142
129 2.93 29
//