MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001401

1-PIPEROYLPYRROLIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001401
RECORD_TITLE: 1-PIPEROYLPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1-PIPEROYLPYRROLIDINE
CH$NAME: N-(5-(3,4-METHYLENEDIOXYPHENYL)-2,4-PENTADIENOYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₇NO₃
CH$EXACT_MASS: 271.12084
CH$SMILES: O=C(C=CC=Cc(c2)cc(O3)c(OC3)c2)N(C1)CCC1
CH$IUPAC: InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+
CH$LINK: INCHIKEY GQIJYUMTOUBHSH-IJIVKGSJSA-N
CH$LINK: COMPTOX DTXSID20180595

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0fk9-0290000000-e92fc9516c43a7ad9514
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  144 1.2 12
  171 11.2 112
  172 19.4 194
  173 3.42 34
  174 14.6 146
  200 17.5 175
  201 99.99 999
  202 2.68 27
  203 1.5 15
  271 79.7 797
  272 19 190
//