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MassBank Record: JP010511

MANNITOL; EI-B; MS

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

ACCESSION: JP010511
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0229-9100000000-5655e9df8e0fdcaa72a0
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 2.56 26
  27 7.57 76
  28 8.28 83
  32 2.07 21
  40 3.9 39
  42 4.2 42
  43 28.07 281
  44 22.88 229
  45 26.18 262
  46 1.24 12
  47 1.68 17
  55 7.27 73
  56 22.6 226
  57 22.29 223
  58 1.55 16
  59 1.54 15
  60 19.17 192
  61 76.29 763
  62 2.59 26
  69 4.71 47
  71 7.89 79
  72 1.93 19
  73 99.99 999
  74 42.16 422
  75 3.44 34
  85 11.92 119
  86 2.11 21
  87 1.58 16
  89 1.45 15
  91 7.24 72
  97 1.18 12
  103 60.76 608
  104 5.71 57
  115 2.61 26
  116 1.16 12
  133 18.65 187
  134 1.09 11
  146 2.32 23
  183 2.24 22
//

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