ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005477
RECORD_TITLE: METHYL (E)-4-CARBAMOYLOXY-2-PENTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (E)-4-CARBAMOYLOXY-2-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₁NO₄
CH$EXACT_MASS: 173.06881
CH$SMILES: COC(=O)C=CC(C)OC(N)=O
CH$IUPAC: InChI=1S/C7H11NO4/c1-5(12-7(8)10)3-4-6(9)11-2/h3-5H,1-2H3,(H2,8,10)/b4-3+
CH$LINK: INCHIKEY ATZBOVFCGNYIIN-ONEGZZNKSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-008i-9800000000-8e98f63eda2efc021e32
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43 1.13 11
  55 3.84 38
  70 5.43 54
  71 59.91 599
  81 4.37 44
  82 12.06 121
  87 99.99 999
  88 3.77 38
  96 1.96 20
  97 5.28 53
  98 18.09 181
  99 14.92 149
  100 3.99 40
  101 3.99 40
  112 5.5 55
  113 36.62 366
  114 9.5 95
  115 1.96 20
  116 1.58 16
  130 96.46 965
  131 8.97 90
  141 38.28 383
  142 3.69 37
  174 2.71 27
//