MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006827

ETHYL CROTONATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006827
RECORD_TITLE: ETHYL 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$NAME: ETHYL CROTONATE
CH$NAME: ETHYL TRANS-2-BUTENOATE
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: INCHIKEY ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID5057591

---

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$SPLASH: splash10-014i-9000000000-dbf7b61c163e848bbaca
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 2.14 21
  26 2.1 21
  27 10.24 102
  29 11.86 119
  37 1.16 12
  38 2.92 29
  39 28.16 282
  40 1.62 16
  41 29.8 298
  42 3.16 32
  43 1.76 18
  45 3.61 36
  55 1.04 10
  68 6.76 68
  69 99.99 999
  70 4.56 46
  71 1.77 18
  86 5.62 56
  87 1.58 16
  99 29.57 296
  100 1.48 15
  114 1.55 16
//