MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010511
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//