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GNPS Library Spectrum CCMSLIB00005720700

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

128.040

128.045

128.050

128.055

128.060

128.065

128.070

128.075

0%

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

128.040

128.045

128.050

128.055

128.060

128.065

128.070

128.075

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00005720700
Compound Name	PIPECOLIC ACID
PI	Andrew D. Patterson
Data Collector	Philip Smith
CAS Number	3105-95-1
Original Submitter	mpanitchpakdi
Most Recent Revisor	mpanitchpakdi
Library Quality	Gold Spectrum
Smiles	C1CCNC(C1)C(=O)O
InChI	"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)"
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720700
Precursor M/Z	128.071
Exact Mass	129.079
Charge	-1
Adduct	[M-H]-
Ion Source	ESI
Instrument	qTof
Ion Mode	Negative
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	PSU-MSMLS
SPLASH Key	null-null-null-null
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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	PIPECOLIC ACID	Andrew D. Patterson	[M-H]-	Philip Smith	128.071	mpanitchpakdi	N/A	2020-04-10 13:26:10.0

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