ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005860
RECORD_TITLE: 3-PIPECOLINE; EI-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

CH$NAME: 3-PIPECOLINE
CH$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

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0537-9000000000-ad2920f02ceaf8cd18dd
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 3.97 40
  26 1.99 20
  27 14.24 142
  28 22.85 229
  29 16.56 166
  30 50.99 510
  31 1.32 13
  38 2.32 23
  39 20.86 209
  40 4.3 43
  41 26.16 262
  42 30.13 301
  43 22.52 225
  44 99.99 999
  45 2.65 27
  50 1.32 13
  51 2.32 23
  53 3.64 36
  54 3.64 36
  55 8.94 89
  56 37.75 378
  57 43.38 434
  58 4.3 43
  63 1.66 17
  65 3.64 36
  66 5.63 56
  67 3.31 33
  68 3.97 40
  69 4.3 43
  70 21.19 212
  71 7.95 80
  80 1.32 13
  81 1.99 20
  82 2.98 30
  83 1.32 13
  84 41.72 417
  85 2.65 27
  92 3.97 40
  93 13.91 139
  94 1.33 13
  98 50.99 510
  99 50 500
  100 3.97 40
//