MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005981
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005981
RECORD_TITLE: METHYL ISOBUTYRATE; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0fe0-9200000000-a852902f244e902cb44a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
69 3.64 36
71 3.18 32
72 73.68 737
73 8.24 82
74 15.26 153
75 3.51 35
76 2.85 29
87 99.99 999
88 4.36 44
101 4.55 46
102 20.1 201
103 38.65 387
104 2.1 21
//