MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002543
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002543
RECORD_TITLE: METHYL BUTYRATE; 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$NAME: METHYL BUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9000000000-b0683e7f6a55b4e40d11
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
14 1.67 17
15 29.15 292
26 3.76 38
27 33.01 330
28 6 60
29 6.9 69
31 4.98 50
33 1.61 16
37 1.02 10
38 2.35 24
39 16.75 168
40 2.54 25
41 35.72 357
42 10.49 105
43 88.58 886
44 2.95 30
45 2.71 27
55 10.04 100
59 24.94 249
69 1.95 20
70 1.33 13
71 75.3 753
72 3.42 34
74 99.99 999
75 3.59 36
87 25.04 250
88 1.23 12
101 1.24 12
102 4.42 44
//
system version 2.2.8-SNAPSHOT