ACCESSION: MSBNK-RIKEN_NPDepo-NGA00587
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-0910000000-9bf0b956ad69b852109b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  188.1 2.28 2
  188.2 4.93 4
  188.3 7.63 7
  188.4 8.94 8
  188.5 10.85 10
  188.6 19.55 19
  188.7 40.28 40
  188.8 69.35 69
  188.9 93.35 93
  189.0 100.0 99
  189.1 89.2 89
  189.2 70.05 69
  189.3 49.42 49
  189.4 28.9 28
  189.5 10.95 10
  189.6 1.66 1
  242.4 1.79 1
  242.5 3.06 3
  242.6 5.61 5
  242.7 9.56 9
  242.8 13.66 13
  242.9 15.54 15
  243.0 13.79 13
  243.1 9.64 9
  243.2 5.7 5
  243.3 3.34 3
//