ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006728
RECORD_TITLE: N-(3-(3,4,5-TRIMETHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-(3-(3,4,5-TRIMETHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE
CH$NAME: TETRAHYDROPIPERLONGUMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₃NO₅
CH$EXACT_MASS: 321.15762
CH$SMILES: COc(c1)c(OC)c(OC)cc(CCC(=O)N(C2)C(=O)CCC2)1
CH$IUPAC: InChI=1S/C17H23NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h10-11H,4-9H2,1-3H3
CH$LINK: COMPTOX DTXSID90702465
CH$LINK: INCHIKEY OTBKATNIYSZVJP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:53440296

AC$INSTRUMENT: HITACHI RMU-6G
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-6952000000-61dda175ba882876c881
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  41 6 60
  42 3 30
  43 24 240
  44 2 20
  45 7 70
  55 7 70
  56 16 160
  57 8 80
  61 6 60
  69 8 80
  70 6 60
  71 6 60
  73 3 30
  81 3 30
  82 3 30
  83 4 40
  84 10 100
  85 4 40
  88 2 20
  91 2.5 25
  94 1 10
  95 2 20
  96 1 10
  97 3 30
  98 2.5 25
  99 3 30
  100 14 140
  101 3 30
  105 2 20
  106 2 20
  107 1 10
  109 1 10
  110 1 10
  111 1 10
  112 1 10
  113 2 20
  119 3 30
  120 1 10
  121 1 10
  122 1 10
  123 1 10
  125 1 10
  127 1 10
  129 1 10
  132 1 10
  133 1 10
  134 1 10
  135 2 20
  136 2 20
  137 1 10
  138 1 10
  139 1 10
  140 1 10
  141 1 10
  147 1.5 15
  148 2 20
  149 3 30
  150 1 10
  151 4 40
  152 1 10
  163 1 10
  164 2 20
  165 2 20
  167 1 10
  168 1 10
  169 1 10
  175 1.5 15
  179 34 340
  180 6 60
  181 16 160
  182 2 20
  191 11 110
  192 2 20
  193 1 10
  194 48 480
  195 2 20
  196 1 10
  207 8 80
  208 1.5 15
  221 1.5 15
  222 99.99 999
  223 14 140
  224 2 20
  233 1 10
  251 1 10
  321 50 500
  322 9 90
  323 1.5 15
//