MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006491
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006491
RECORD_TITLE: METHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
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 M-80B
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: splash10-006x-9000000000-baf5efad57ba73b6f451
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 1.29 13
15 24.88 249
26 4.63 46
27 35.15 352
28 6.87 69
29 11.99 120
30 1.43 14
31 5.04 50
33 1.12 11
37 1 10
38 2.75 28
39 21.02 210
40 3.1 31
41 38.17 382
42 17.85 179
43 99.99 999
44 4.88 49
45 4.84 48
55 9.89 99
59 26.13 261
69 1.4 14
71 59.31 593
72 2.67 27
74 77.62 776
75 2.83 28
87 20 200
102 1.5 15
//