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GNPS Library Spectrum CCMSLIB00000478084

Ions:

a 1⁺ 2⁺ 3⁺
b 1⁺ 2⁺ 3⁺
c 1⁺ 2⁺ 3⁺
x 1⁺ 2⁺ 3⁺
y 1⁺ 2⁺ 3⁺
z 1⁺ 2⁺ 3⁺
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Neutral Loss:

NH₃ (*)
H₂O (o)
H₃PO₄ (p)

Immonium ions
Reporter ions

Mass Type:
Mono Avg

Mass Tol:
Th ppm

Peak Assignment:
Most Intense
Nearest Match
Peak Detect

Peak Labels:
Ionm/z
None

Width: 935

Height: 600

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Click and drag in the plot to zoom X: Y: Enable tooltip Plot mass error

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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000478084
Compound Name	Ergosterol Peroxide_120246
PI	Cichewicz
Data Collector	Luzzatto
CAS Number	2061-64-5
Original Submitter	tal_lk
Most Recent Revisor	tal_lk
Library Quality	Silver Spectrum
Smiles	O[C@@H]1C[C@]23OO[C@@]4([C@H](CC[C@@]5([C@H](CC[C@@H]45)[C@H](C)/C=C/[C@@H](C(C)C)C)C)[C@@]3(C)CC1)C=C2
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000478084
Precursor M/Z	429.336
Exact Mass	428.329
Charge	1
Adduct	M+H
Ion Source	LC-ESI
Instrument	qToF
Ion Mode	Positive
Provenance LCMS File Viewer	View Provenance Full LCMS File
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-LIBRARY
SPLASH Key	splash10-004i-0732900000-ad0cd58bd6f5926060a5
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Spectrum Tags

	Type	Description	Database	URL	URL	Remove Tag
Datasets ID Hits 1 ~ 0 out of 0 Go to Select columns
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Spectrum Annotation History

	Comment	Compound Name	PI	Adduct	Data_Collector	Precursor_MZ	user_id	Pubmed ID	Time
Spectrum Annotations and Comments Hits 1 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	Ergosterol Peroxide_120246	Cichewicz	M+H	Luzzatto	429.336	tal_lk	N/A	2015-04-24 17:28:51.0

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