ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003537
RECORD_TITLE: CYCLOHEXANONE OXIME; 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$NAME: CYCLOHEXANONE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO
CH$EXACT_MASS: 113.08406
CH$SMILES: ON=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
CH$LINK: INCHIKEY VEZUQRBDRNJBJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021842

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0bt9-9100000000-49d69f5f4d99a71e6919
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  18 2.5 25
  26 6.5 65
  27 40 400
  28 28.5 285
  29 25 250
  30 10.2 102
  37 0.2 2
  38 5.2 52
  39 47.5 475
  40 14.5 145
  41 9.9 99
  42 46.5 465
  43 11 110
  44 11 110
  45 0.26 3
  46 22 220
  50 3.8 38
  51 7.3 73
  52 0.7 7
  53 21 210
  54 54.5 545
  55 77 770
  56 1 10
  57 9.3 93
  58 2.4 24
  59 78.5 785
  60 0.29 3
  63 1.2 12
  64 1.5 15
  66 6.5 65
  67 4.1 41
  68 42 420
  69 27 270
  70 9.5 95
  71 0.28 3
  72 63.5 635
  73 4 40
  77 3.5 35
  78 0.12 1
  79 13 130
  80 8.9 89
  81 36.5 365
  82 0.65 7
  83 3.1 31
  84 19.5 195
  85 26 260
  86 0.2 2
  94 4.5 45
  95 1.2 12
  96 24 240
  97 0.5 5
  98 32 320
  99 2 20
  112 5.5 55
  113 99.99 999
  114 13.5 135
//