MassBank Record: JP010511

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MANNITOL; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP010511
RECORD_TITLE: MANNITOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //