MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007337
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007337
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014r-9000000000-bccd947800b3f962393b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 1.15 12
27 6.45 65
28 2.64 26
29 9.53 95
38 1.23 12
39 16.91 169
40 3.21 32
41 35.01 350
42 1.97 20
43 1.69 17
55 4.75 48
56 19.41 194
57 3.35 34
68 2.02 20
69 99.99 999
70 5.07 51
82 1.14 11
86 1.2 12
87 62.81 628
88 2.99 30
99 1.8 18
127 1.48 15
//