MassBank Record: JP010767

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ENDO-NORBORNEOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP010767
RECORD_TITLE: ENDO-NORBORNEOL; 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$NAME: ENDO-NORBORNEOL
CH$NAME: ENDO-BICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08881999999999834471964277327060699462890625
CH$SMILES: OC(C1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1
CH$LINK: INCHIKEY ZQTYQMYDIHMKQB-DSYKOEDSSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-002f-9000000000-aa0171a69706c44c745a
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  28 1.6 16
  29 2.3 23
  40 1.5 15
  42 0.26 3
  43 4.5 45
  44 3.4 34
  45 4.9 49
  53 0.41 4
  54 2.5 25
  55 11.3 113
  56 8.5 85
  57 1.77 18
  58 3.1 31
  65 1 10
  66 47.9 479
  67 4.4 44
  68 4.8 48
  69 5.2 52
  70 9.8 98
  71 0.46 5
  77 2.4 24
  78 1 10
  79 59.7 597
  80 0.51 5
  81 5.2 52
  82 1.5 15
  83 11.3 113
  84 0.48 5
  91 1 10
  93 4.5 45
  94 99.99 999
  95 0.83 8
  97 4.7 47
  111 1.1 11
  112 4.1 41
//