Measured Mass (m/z) (MS/MS)

ID

Measured Mass (m/z)

Electron Paring

Nitrogen Rule

No. of Nitrogen (s)

Proposed Formula

Calculated Mass

418 (PI-1)

C24H28N5 O 2 +

Calculated: 418.2238

PI-3

390.0

EE

ON

5

C22H24N5 O 2 +

390.2

PI-4

362.2

EE

ON

5

C20H20N5 O 2 +

362.2

PI-10

345.1

OE

ON

5

C21H23N5•+

345.2

PI-6

306.1

EE

ON

5

C18H20 N 5 +

306.2

PI-7

291.2

OE

ON

5

C17H17N5•+

291.1

PI-8

235.0

EE

EN

4

C14H11 N 4 +

235.1

PI-9

207.2

EE

EN

2

C14H11 N 2 +

207.1

362 (PI-4)

C20H20N5 O 2 +

Calculated: 362.1612

PI-4

362.2

EE

ON

5

C20H20N5 O 2 +

362.2

PI-10

345.1

OE

ON

5

C21H23N5•+

345.2

PI-7

291.1

OE

ON

5

C17H17N5•+

291.1

352 (PI-5)

C19H22N5 O 2 +

Calculated: 352.1768

PI-6

306.2

EE

ON

5

C18H20 N 5 +

306.2

PI-8

235.0

EE

EN

4

C14H11 N 4 +

235.1

PI-9

207.1

EE

EN

2

C14H11 N 2 +

207.1

345.0 (PI-11)

C21H23N5•+

(MS3)

PI-6

306.2

EE

ON

5

C18H20 N 5 +

306.2

PI-8

235.1

EE

EN

4

C14H11 N 4 +

235.1

PI-9

207.2

EE

EN

2

C14H11 N 2 +

207.1

306 (PI-6)

C18H20 N 5 +

Calculated: 306.1713

PI-8

235.1

EE

EN

4

C14H11 N 4 +

235.1

PI-9

207.1

EE

EN

2

C14H11 N 2 +

207.1

291(PI-7)

C17H17N5•+

Calculated: 291.1478

PI-8

235.1

EE

EN

4

C14H11 N 4 +

235.1

PI-11

194.1

EE

ON

1

C14H12N+

194.1

PI-12

192.1

EE

ON

1

C14H10N+

192.1

PI-13

167.1

EE

EN

0

C13H11+

167.1