MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006963
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006963
RECORD_TITLE: METHYL ISOBUTYRATE; 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$NAME: METHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.06808
CH$SMILES: COC(=O)C(C)C
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
CH$LINK: INCHIKEY
BHIWKHZACMWKOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060275
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$SPLASH: splash10-0006-9000000000-036e1ab23d11bbe83602
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 15.69 157
26 2.99 30
27 25.03 250
28 3.94 39
29 5.66 57
31 2.16 22
33 1.25 13
38 1.79 18
39 16.74 167
40 2.6 26
41 36.85 369
42 15.08 151
43 99.99 999
44 3.1 31
45 2.23 22
55 6.49 65
59 26.65 267
61 4.43 44
70 1.01 10
71 35.38 354
72 1.39 14
74 2.94 29
87 19 190
102 12.14 121
//