MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005916
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005916
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-3e969deccf54a3de9a05
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 5.2 52
41 14.11 141
42 11.39 114
43 99.99 999
44 3.22 32
55 3.21 32
59 19.55 196
61 4.95 50
70 1.24 12
71 49.13 491
72 2.23 22
74 5.69 57
87 23.51 235
88 1.24 12
101 0.99 10
102 20.3 203
103 1.49 15
//