ACCESSION: MSBNK-Keio_Univ-KO003575
RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M169

CH$NAME: Methoxamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₃
CH$EXACT_MASS: 211.12084
CH$SMILES: COc(c1)cc(C(O)C(C)N)c(OC)c1
CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
CH$LINK: CAS 390-28-3
CH$LINK: KEGG C07513
CH$LINK: NIKKAJI J5.717G
CH$LINK: PUBCHEM SID:9716
CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023290

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 212
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03kj-1900000000-4dc22029f0246da362e5
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  39.000 29703.0 1
  41.100 321782.5 6
  42.100 2133665.5 38
  43.000 1346536.0 24
  43.800 64356.5 1
  45.000 193069.5 3
  53.000 49505.0 1
  55.200 3663370.0 64
  56.200 5653471.0 99
  57.100 673268.0 12
  57.900 24752.5 1
  59.000 64356.5 1
  64.900 371287.5 7
  67.100 1074258.5 19
  68.200 44554.5 1
  69.100 301980.5 5
  70.100 44554.5 1
  73.800 361386.5 6
  75.300 24752.5 1
  77.000 5579213.5 98
  77.900 1217823.0 21
  79.000 5663372.0 100
  80.000 341584.5 6
  81.300 2282180.5 40
  82.200 232673.5 4
  83.000 638614.5 11
  84.800 74257.5 1
  89.200 94059.5 2
  90.400 183168.5 3
  91.100 18346553.0 322
  92.000 415842.0 7
  93.200 3054458.5 54
  94.200 2549507.5 45
  95.000 4108915.0 72
  96.200 188119.0 3
  97.300 24752.5 1
  99.100 24752.5 1
  100.700 29703.0 1
  102.200 232673.5 4
  102.800 8524761.0 150
  104.100 2227725.0 39
  105.100 11965358.5 210
  106.200 2539606.5 45
  106.900 3351488.5 59
  108.200 3108914.0 55
  109.200 5183173.5 91
  110.300 1282179.5 23
  111.400 64356.5 1
  114.000 29703.0 1
  115.100 2821785.0 50
  116.200 564357.0 10
  117.000 3311884.5 58
  118.200 14232687.5 250
  119.100 23698043.5 417
  120.200 3242577.5 57
  121.000 17346552.0 305
  122.200 1217823.0 21
  123.200 49207970.0 865
  124.200 782179.0 14
  124.900 59406.0 1
  127.100 450495.5 8
  127.900 405941.0 7
  129.300 212871.5 4
  130.100 10653476.0 187
  131.000 17826750.5 313
  132.000 13113874.5 231
  133.200 1678219.5 30
  134.000 1792081.0 32
  135.300 5975253.5 105
  136.000 23678241.5 416
  137.200 8504959.0 150
  138.200 29252504.5 514
  143.300 34653.5 1
  144.100 371287.5 7
  145.100 995050.5 17
  146.100 11618823.5 204
  147.000 55094114.5 968
  148.200 6198026.0 109
  149.300 1267328.0 22
  150.100 564357.0 10
  151.400 386139.0 7
  152.600 173267.5 3
  153.100 618812.5 11
  160.200 257426.0 5
  161.100 8415850.0 148
  162.200 56831740.0 999
  163.000 1272278.5 22
  164.300 18559424.5 326
  165.500 59406.0 1
  175.000 99010.0 2
  177.200 118812.0 2
  178.200 529703.5 9
  179.100 4762381.0 84
  180.400 89109.0 2
  183.900 14851.5 1
  194.500 405941.0 7
//