MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011296
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011296
RECORD_TITLE: N-METHYL-D-GLUCAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-METHYL-D-GLUCAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H17NO5
CH$EXACT_MASS: 195.11067
CH$SMILES: CNCC([H])(O)C([H])(O)C([H])(O)C([H])(O)CO
CH$IUPAC: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
CH$LINK: CAS
6284-40-8
CH$LINK: INCHIKEY
MBBZMMPHUWSWHV-BDVNFPICSA-N
CH$LINK: COMPTOX
DTXSID0023244
AC$INSTRUMENT: HITACHI M-2500
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: splash10-0006-9100000000-e892e9e9fcffcbf59eaa
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 3.45 35
18 1.08 11
19 1.81 18
27 2.1 21
28 4.53 45
29 2.92 29
30 7.05 71
31 5.8 58
32 5.51 55
41 1.29 13
42 4.41 44
43 6.83 68
44 99.99 999
45 6.69 67
55 1.01 10
56 3.49 35
57 2.27 23
58 1.84 18
60 2.27 23
61 3.61 36
66 1.02 10
73 3.63 36
74 19.09 191
75 3.49 35
86 2.13 21
87 1.28 13
88 1.2 12
104 5.75 58
105 1.31 13
116 4.48 45
134 4.82 48
164 2.63 26
196 13.79 138
197 1.08 11
//