ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006829
RECORD_TITLE: BUTYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL CROTONATE
CH$NAME: BUTYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCOC(=O)C=CC
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014r-9000000000-8a3fc909d35cb68b2dc1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.16 12
  26 1.11 11
  27 8.93 89
  29 10.76 108
  31 1.1 11
  38 1.57 16
  39 23.7 237
  40 1.26 13
  41 37.91 379
  42 2.35 24
  43 2.09 21
  55 5.01 50
  56 16.33 163
  57 3.14 31
  68 1.93 19
  69 99.99 999
  70 5.64 56
  86 1 10
  87 55.18 552
  88 2.4 24
  99 1.29 13
  127 1.07 11
//