MassBank Record: JP010512

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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: JP010512
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 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 //