MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002554
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002554
RECORD_TITLE: METHYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-cd801699f9c2a557b43f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 16.29 163
26 2.57 26
27 20.97 210
28 3.5 35
29 2.53 25
31 1.99 20
33 1.42 14
38 1.42 14
39 10.83 108
40 2.2 22
41 29.54 295
42 14.2 142
43 99.99 999
44 3.47 35
45 1.38 14
55 5.21 52
59 20.65 207
61 4.61 46
70 1.23 12
71 39.88 399
72 1.86 19
74 3.91 39
87 18.6 186
102 17.95 180
103 1.05 11
//