ACCESSION: MSBNK-RIKEN_NPDepo-NGA00585
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Coumarins

CH$NAME: Meranzin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₁₅H₁₆O₄
CH$EXACT_MASS: 260.2924
CH$SMILES: COc1ccc2ccc(=O)oc2c1CC1OC1(C)C
CH$IUPAC: InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
CH$LINK: CAS 489-53-2
CH$LINK: CHEMSPIDER 3045741 1411306
CH$LINK: INCHIKEY LSZONYLDFHGRDP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3819217

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001r-0900000000-bb563f24e447202a4325
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  102.6 3.37 3
  102.7 5.71 5
  102.8 9.27 9
  102.9 13.22 13
  103.0 15.41 15
  103.1 13.9 13
  103.2 9.29 9
  103.3 4.54 4
  120.5 2.79 2
  120.6 4.55 4
  120.7 6.9 6
  120.8 8.38 8
  120.9 7.62 7
  121.0 5.14 5
  130.3 0.65 0
  130.4 2.37 2
  130.5 9.26 9
  130.6 26.27 26
  130.7 53.71 53
  130.8 83.39 83
  130.9 99.31 99
  131.0 91.65 91
  131.1 68.72 68
  131.2 47.13 47
  131.3 32.88 32
  131.4 20.84 20
  131.5 8.64 8
  131.6 1.01 1
  188.5 1.25 1
  188.6 4.83 4
  188.7 18.66 18
  188.8 42.57 42
  188.9 65.84 65
  189.0 73.71 73
  189.1 60.27 60
  189.2 34.4 34
  189.3 11.36 11
  189.4 1.06 1
//