MassBank Record: JP007648

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ENDO-NORBORNEOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP007648
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9000000000-ca1ad94b6e27d5b0b522
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43 1.41 14
  44 1.18 12
  45 3.12 31
  54 1 10
  55 3.12 31
  56 4.71 47
  57 8.01 80
  58 1.89 19
  66 35.35 354
  67 17.85 179
  68 32.11 321
  69 2.95 30
  70 6.6 66
  71 2.95 30
  79 39.65 397
  80 3.42 34
  81 5.48 55
  82 1.06 11
  83 6.48 65
  84 3.89 39
  93 2.42 24
  94 99.99 999
  95 7.31 73
  97 3.77 38
  108 1.18 12
  111 1.24 12
  112 4.01 40
//