ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008249
RECORD_TITLE: 2-AZACYCLOTRIDECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 2-AZACYCLOTRIDECANONE
CH$NAME: LAURYLLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃NO
CH$EXACT_MASS: 197.17796
CH$SMILES: O=C(C1)NCCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
CH$LINK: CAS 947-04-6
CH$LINK: INCHIKEY JHWNWJKBPDFINM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027344

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000x-9200000000-a66e8c1a88255ecc9623
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  18 5.6 56
  27 13.97 140
  28 11.65 117
  29 24.65 247
  30 99.99 999
  31 2.41 24
  39 12.13 121
  40 2.67 27
  41 58.52 585
  42 20.43 204
  43 30.94 309
  44 28.29 283
  45 7.66 77
  53 5.17 52
  54 6.87 69
  55 56.12 561
  56 22.5 225
  57 11.04 110
  58 12.43 124
  59 10.59 106
  60 17.5 175
  67 9.48 95
  68 6.84 68
  69 15.74 157
  70 11.5 115
  71 5.53 55
  72 21.19 212
  73 25.61 256
  74 2.3 23
  79 2.27 23
  80 1.17 12
  81 6.63 66
  82 6.1 61
  83 7.5 75
  84 15.3 153
  85 9.17 92
  86 23.79 238
  87 15.77 158
  88 1.24 12
  93 1.11 11
  94 1.2 12
  95 3.71 37
  96 5.4 54
  97 7.02 70
  98 27.24 272
  99 11.21 112
  100 30.33 303
  101 8.92 89
  109 1.69 17
  110 2.35 24
  111 5.21 52
  112 16.38 164
  113 7.84 78
  114 12.37 124
  115 2.51 25
  125 2.62 26
  126 10.81 108
  127 2.86 29
  128 4.63 46
  129 1.46 15
  138 3.09 31
  140 9.03 90
  141 2.28 23
  142 2.59 26
  154 11.38 114
  155 2.43 24
  156 7.73 77
  168 6.49 65
  169 1.64 16
  182 1.75 18
  196 1.62 16
  197 24.44 244
  198 6.24 62
//