ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003723
RECORD_TITLE: BETA-(P-PROPIONAMIDOPHENOXY)-ACROLEIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-(P-PROPIONAMIDOPHENOXY)-ACROLEIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃NO₃
CH$EXACT_MASS: 219.08954
CH$SMILES: O=CC=COc(c1)ccc(NC(=O)CC)c1
CH$IUPAC: InChI=1S/C12H13NO3/c1-2-12(15)13-10-4-6-11(7-5-10)16-9-3-8-14/h3-9H,2H2,1H3,(H,13,15)/b9-3+
CH$LINK: INCHIKEY CCIBQOHCLWDWLC-YCRREMRBSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-2283237993e685213a56
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39 5.6 56
  40 0.9 9
  41 2.1 21
  42 0.29 3
  43 8.8 88
  44 2.1 21
  45 2.1 21
  46 0.22 2
  50 1.4 14
  51 2.7 27
  52 4.1 41
  53 0.47 5
  54 1.4 14
  55 2.4 24
  57 17.4 174
  63 0.14 1
  64 0.9 9
  65 2.4 24
  71 5.3 53
  72 1.18 12
  77 1.2 12
  78 0.7 7
  79 1 10
  80 0.41 4
  81 5.9 59
  82 0.9 9
  93 7.6 76
  94 0.12 1
  105 1.2 12
  106 0.7 7
  107 1.3 13
  108 1.03 10
  109 99.99 999
  110 9.4 94
  115 0.7 7
  123 0.14 1
  133 1.2 12
  134 1.2 12
  135 1.4 14
  136 0.09 1
  137 0.7 7
  144 2.6 26
  151 2.1 21
  161 0.09 1
  162 5.6 56
  163 7.4 74
  164 1.2 12
  165 2.65 27
  166 2.9 29
  180 0.6 6
  218 0.7 7
  219 1.09 11
  220 1.3 13
//