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MassBank Record: JP010512

MANNITOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP010512
RECORD_TITLE: MANNITOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: MANNITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O6
CH$EXACT_MASS: 182.07904
CH$SMILES: OCC(O)C(O)C(O)C(O)CO
CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
CH$LINK: CAS 69-65-8
CH$LINK: INCHIKEY FBPFZTCFMRRESA-KVTDHHQDSA-N
CH$LINK: COMPTOX DTXSID1023235

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 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9200000000-0dad802ab0000303cb33
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  14 16.09 161
  26 6.19 62
  27 5.09 51
  28 29.37 294
  29 3.23 32
  30 99.99 999
  32 2.18 22
  38 2.72 27
  40 4.36 44
  41 16.44 164
  43 53.63 536
  44 14.75 148
  45 21.85 219
  47 1.77 18
  55 7.56 76
  56 9.48 95
  57 14.66 147
  58 1.33 13
  59 1.65 17
  60 15.82 158
  61 39.59 396
  62 1.44 14
  69 14.3 143
  71 7.29 73
  72 1.08 11
  73 34.18 342
  74 12.63 126
  75 1.66 17
  81 1.16 12
  83 3.19 32
  85 7.67 77
  86 1.03 10
  87 3.8 38
  91 2.4 24
  99 4.53 45
  103 19.39 194
  104 1.55 16
  111 4.52 45
  115 1.25 13
  117 1.07 11
  129 9.74 97
  133 4.35 44
  147 4.55 46
  165 4.35 44
  183 54.59 546
  184 3.93 39
//

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