ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008216
RECORD_TITLE: BETA-CYCLOCITRAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BETA-CYCLOCITRAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY MOQGCGNUWBPGTQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047142

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0l0i-4900000000-f6c4a4fe93d19741cab0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 9.41 94
  43 12.35 124
  53 6.47 65
  55 11.47 115
  56 3.53 35
  57 3.24 32
  60 1.76 18
  67 45.59 456
  69 5.59 56
  77 3.24 32
  78 2.35 24
  81 32.35 324
  82 3.24 32
  91 6.18 62
  92 2.06 21
  93 20 200
  95 8.24 82
  98 2.65 27
  105 3.24 32
  107 15.29 153
  108 2.94 29
  109 63.53 635
  110 8.53 85
  119 12.06 121
  121 3.53 35
  123 63.82 638
  124 5.88 59
  137 99.99 999
  138 11.76 118
  152 83.24 832
//