ACCESSION: MSBNK-PFOS_research_group-FFF00179
RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS
DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20)
AUTHORS: Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
CH$NAME: Ergosterol
CH$COMPOUND_CLASS: Natural Product; Sterol
CH$FORMULA: C28H44O
CH$EXACT_MASS: 396.33922
CH$SMILES: C(C(C=CC(C)C(C4)C(C3C4)(C)CCC(C=13)C(C2)(C(CC(C2)O)=CC1)C)C)(C)C
CH$IUPAC: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24?,25?,26?,27?,28?/m0/s1
CH$LINK: CAS
57-87-4
CH$LINK: LIPIDBANK
SST0012
CH$LINK: INCHIKEY
DNVPQKQSNYMLRS-CTZLKQLBSA-N
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min
MS$FOCUSED_ION: BASE_PEAK 379.399994
PK$SPLASH: splash10-004i-0149000000-38f6ceaeda4c5edb6ab9
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//
