ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010062
RECORD_TITLE: 6-HYDROXY-3,4-DIHYDRO-2-(3-ISOPROPYLAMINO-2-HYDROXYPROPYLOXY)ETHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 6-HYDROXY-3,4-DIHYDRO-2-(3-ISOPROPYLAMINO-2-HYDROXYPROPYLOXY)ETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₅NO₄
CH$EXACT_MASS: 365.25661
CH$SMILES: CC(C)NCC(O)COCCC(C)(C2)Oc(c(C)1)c(C2)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C21H35NO4/c1-13(2)22-11-17(23)12-25-10-9-21(6)8-7-18-16(5)19(24)14(3)15(4)20(18)26-21/h13,17,22-24H,7-12H2,1-6H3
CH$LINK: INCHIKEY APMGJFMVYQXFIP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00di-9210000000-950bad82025e92f6dc9d
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  28 1.1 11
  30 12.6 126
  41 3 30
  43 0.41 4
  44 2.1 21
  56 1.5 15
  58 5.6 56
  60 0.23 2
  69 2.2 22
  72 99.99 999
  73 5.4 54
  81 0.19 2
  91 1.2 12
  102 7.9 79
  116 1.8 18
  121 0.22 2
  134 3.1 31
  136 2 20
  137 1.3 13
  160 0.13 1
  164 8.9 89
  165 12.9 129
  166 1.9 19
  177 0.14 1
  189 1.4 14
  202 17.1 171
  203 3.5 35
  205 0.2 2
  232 3.1 31
  250 2.3 23
  350 2.7 27
  365 2.17 22
  366 5 50
//