ACCESSION: MSBNK-RIKEN-PR010221
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$CHROMATOGRAPHY: RETENTION_INDEX 1819.6
AC$CHROMATOGRAPHY: RETENTION_TIME 478.096 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$SPLASH: splash10-006x-9700000000-8162c9e6fb15343b54f7
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 3 3
  62 1 1
  63 12 12
  64 6 6
  65 22 22
  66 6 6
  67 4 4
  68 4 4
  69 6 6
  70 63 63
  71 8 8
  72 78 78
  73 999 999
  74 95 95
  75 30 30
  76 7 7
  77 217 217
  78 25 25
  79 45 45
  80 3 3
  81 1 1
  82 10 10
  83 7 7
  84 13 13
  85 13 13
  86 11 11
  88 2 2
  89 2 2
  90 3 3
  91 11 11
  92 4 4
  93 6 6
  94 2 2
  96 1 1
  97 2 2
  98 8 8
  99 10 10
  100 20 20
  101 4 4
  102 2 2
  103 1 1
  104 27 27
  105 17 17
  106 159 159
  107 25 25
  108 2 2
  110 1 1
  111 1 1
  112 3 3
  113 5 5
  114 2 2
  115 4 4
  116 1 1
  117 5 5
  118 5 5
  119 1 1
  120 3 3
  121 2 2
  124 1 1
  126 2 2
  127 4 4
  128 5 5
  129 1 1
  130 3 3
  132 5 5
  133 1 1
  134 5 5
  135 1 1
  136 1 1
  139 1 1
  140 12 12
  141 8 8
  142 950 950
  143 125 125
  144 40 40
  145 5 5
  146 1 1
  150 15 15
  151 3 3
  152 1 1
  154 3 3
  155 1 1
  158 2 2
  160 2 2
  162 2 2
  171 1 1
  175 1 1
  203 2 2
  213 1 1
  225 1 1
  226 1 1
  231 1 1
  233 7 7
  234 1 1
  248 3 3
  263 1 1
  346 1 1
  373 1 1
  394 1 1
  434 1 1
  464 1 1
  481 1 1
  528 1 1
  567 1 1
  582 1 1
  583 1 1
  653 1 1
  677 1 1
  679 1 1
  730 1 1
  739 1 1
//