MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010512
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//