ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007531
RECORD_TITLE: 2-SEC-BUTYLPHENYL N-METHYLCARBAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2-SEC-BUTYLPHENYL N-METHYLCARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.12593
CH$SMILES: CNC(=O)Oc(c1)c(ccc1)C(C)CC
CH$IUPAC: InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
CH$LINK: INCHIKEY DIRFUJHNVNOBMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058077
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0fkc-6900000000-adbb3857b8231ec72227
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  43 2.8 28
  51 15.9 159
  52 2.8 28
  53 1.23 12
  55 18.1 181
  56 10.8 108
  57 24.6 246
  58 3.69 37
  63 7.9 79
  64 6.5 65
  65 26 260
  66 0.65 7
  67 2.8 28
  68 2.8 28
  71 4.3 43
  74 0.14 1
  75 2.8 28
  76 3.6 36
  77 84 840
  79 1.15 12
  85 1.4 14
  86 3.6 36
  89 6.5 65
  90 0.21 2
  91 84 840
  92 12.3 123
  93 34.7 347
  94 1.01 10
  95 7.2 72
  102 7.2 72
  103 76 760
  104 0.84 8
  105 11.5 115
  107 89.1 891
  108 6.5 65
  115 1.3 13
  116 5 50
  117 6.5 65
  119 12.3 123
  120 1.3 13
  121 93.4 934
  122 99.99 999
  123 5.7 57
  128 0.57 6
  131 3.6 36
  132 2.1 21
  133 7.2 72
  134 0.5 5
  135 25.3 253
  141 2.8 28
  149 2.8 28
  150 8.4 84
  151 38.4 384
  152 1.4 14
  173 1.4 14
  174 0.5 5
  176 2.1 21
  207 9.4 94
  208 1.4 14
  209 2.1 21
//
