ACCESSION: MSBNK-RIKEN-PR010220
RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: (S)-(+)-2-(anilinomethyl)pyrrolidine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₆N₂
CH$EXACT_MASS: 176.13135
CH$SMILES: c(c2)ccc(c2)NCC(C1)NCC1
CH$IUPAC: InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2
CH$LINK: CAS 64030-44-0
CH$LINK: NIKKAJI J1.104.490E
CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1798.1
AC$CHROMATOGRAPHY: RETENTION_TIME 473.542 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C17H32N2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 320.2104
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-006x-9800000000-3ed8ad13964f06fa5fff
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  60 8 8
  61 4 4
  62 1 1
  63 3 3
  64 2 2
  65 4 4
  66 2 2
  67 5 5
  68 1 1
  69 4 4
  70 38 38
  71 11 11
  72 49 49
  73 999 999
  74 90 90
  75 30 30
  76 3 3
  77 42 42
  78 6 6
  79 7 7
  80 2 2
  81 1 1
  82 3 3
  83 5 5
  84 16 16
  85 10 10
  86 10 10
  87 1 1
  88 1 1
  91 5 5
  92 1 1
  93 4 4
  94 1 1
  95 2 2
  96 1 1
  97 2 2
  98 5 5
  99 7 7
  100 15 15
  101 2 2
  102 1 1
  103 1 1
  104 21 21
  105 18 18
  106 8 8
  107 6 6
  108 1 1
  109 1 1
  110 1 1
  112 2 2
  113 6 6
  114 1 1
  115 1 1
  117 1 1
  118 2 2
  119 6 6
  120 4 4
  121 7 7
  122 2 2
  124 3 3
  126 2 2
  127 5 5
  128 3 3
  130 1 1
  131 1 1
  132 2 2
  133 1 1
  134 5 5
  135 13 13
  136 3 3
  139 1 1
  140 9 9
  141 16 16
  142 961 961
  143 133 133
  144 41 41
  145 4 4
  146 2 2
  147 1 1
  148 4 4
  149 3 3
  150 3 3
  154 3 3
  155 1 1
  156 1 1
  160 1 1
  162 7 7
  163 2 2
  164 5 5
  165 1 1
  176 3 3
  177 3 3
  178 22 22
  179 9 9
  180 1 1
  203 2 2
  217 4 4
  231 6 6
  232 1 1
  305 4 4
  306 1 1
//