MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004941
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004941
RECORD_TITLE: ETHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=CC(=O)OCC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
CH$LINK: CAS
623-70-1
CH$LINK: INCHIKEY
ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID5057591
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-014i-9000000000-e76d15352df041ad9a32
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
40 12.16 122
42 2.14 21
43 1.36 14
45 3.37 34
55 1.03 10
68 5.3 53
69 99.99 999
70 5.44 54
71 2.14 21
86 8.82 88
87 2.5 25
99 31.87 319
100 1.92 19
114 3.02 30
//