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
//