ACCESSION: MSBNK-MSSJ-MSJ00969
RECORD_TITLE: Genistein; ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
DATE: 2021.10.09
AUTHORS: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
LICENSE: CC BY
COPYRIGHT: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
COMMENT: The sample was injected by direct infusion.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.

CH$NAME: Genistein
CH$COMPOUND_CLASS: 7-hydroxyisoflavone
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.05282
CH$SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
CH$LINK: CAS 446-72-0
CH$LINK: CHEBI 28088
CH$LINK: CHEMSPIDER 4444448
CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5280961

AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 271.06010
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uxu-3940000000-ad65acaac60c630879ac
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  43.0174 0.485 26
  65.0383 1.1876 65
  67.0176 1.3014 71
  68.9968 2.481 135
  91.0539 12.2196 665
  107.0489 1.1158 61
  119.0488 2.9681 162
  121.0282 1.8158 99
  131.0488 1.4042 76
  141.0695 3.4539 188
  145.0281 2.2033 120
  149.023 4.4065 240
  153.0177 18.3457 999
  159.0438 1.8968 103
  165.018 1.6546 90
  169.0645 4.2301 230
  197.0594 4.7625 259
  215.07 9.0994 496
  243.065 4.8398 264
  253.0495 3.2615 178
  271.06 8.9362 487
//