MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008067
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008067
RECORD_TITLE: CROTONIC ACID BUTYL ESTER; 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$NAME: CROTONIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCOC(=O)C([H])=C([H])C
CH$IUPAC: InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
CH$LINK: INCHIKEY
GWCTUKHUBWMAMI-GQCTYLIASA-N
CH$LINK: COMPTOX
DTXSID30920525
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$SPLASH: splash10-014r-9000000000-d02a557b27852225f773
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
29 4.43 44
39 2.4 24
41 21.68 217
42 1.68 17
43 1.68 17
45 1.2 12
55 4.79 48
56 25.87 259
57 3.59 36
68 1.56 16
69 99.99 999
70 5.39 54
73 1.2 12
82 1.68 17
85 1.32 13
86 83.59 836
87 4.55 46
99 2.63 26
113 1.08 11
127 2.4 24
142 0.48 5
//