MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008847
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008847
RECORD_TITLE: METHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL BUTYRATE
CH$NAME: BUTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCC(=O)OC
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY
UUIQMZJEGPQKFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047083
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-00dl-9000000000-ba948fad382703d250d8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 16.68 167
26 2.4 24
27 22.58 226
28 3.59 36
29 7.61 76
31 3.51 35
33 1.25 13
38 1.65 17
39 11.77 118
40 2 20
41 29.14 291
42 14.32 143
43 99.99 999
44 5 50
45 3.71 37
55 8.76 88
57 1.05 11
59 24.29 243
69 1.65 17
70 1.05 11
71 65.2 652
72 3 30
74 81.87 819
75 2.95 30
77 1 10
87 20.23 202
88 1 10
101 1 10
102 1.9 19
//
system version 2.2.8-SNAPSHOT