MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009017

DIETHYL MALEATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009017
RECORD_TITLE: DIETHYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

---

CH$NAME: DIETHYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₄
CH$EXACT_MASS: 172.07356
CH$SMILES: CCOC(=O)C=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
CH$LINK: CAS 141-05-9
CH$LINK: INCHIKEY IEPRKVQEAMIZSS-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID8020464

---

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$SPLASH: splash10-002b-9400000000-1575d42a342b7e2bc810
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  26 4.06 41
  27 7.88 79
  28 2.44 24
  29 11.38 114
  31 2.24 22
  32 1.02 10
  43 2.06 21
  45 5.44 54
  53 2.13 21
  54 8.34 83
  55 4.67 47
  71 3.66 37
  72 1.5 15
  82 6.47 65
  99 99.99 999
  100 10.35 104
  125 1.07 11
  126 17.13 171
  127 33.25 333
  128 8.27 83
  143 3.69 37
//