MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005945

3-METHYLPIPERIDINE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005945
RECORD_TITLE: 3-METHYLPIPERIDINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYLPIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₃N
CH$EXACT_MASS: 99.10480
CH$SMILES: CC(C1)CNCC1
CH$IUPAC: InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
CH$LINK: INCHIKEY JEGMWWXJUXDNJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4029195

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0002-9100000000-973e17c7e49a72c1d62c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  70 14.08 141
  71 3.16 32
  81 1.12 11
  82 2.18 22
  83 1.34 13
  85 37.9 379
  98 63.93 639
  99 99.99 999
  100 28.1 281
  101 1.63 16
//